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(4-Nitrophenyl)hydrazine hydrochloride

(4-Nitrophenyl)hydrazine hydrochloride

CAS No. :636-99-7MDL No. :MFCD00040592Formula :C6H8ClN3O2Boiling Point :No data availableLinear Structure Formula :H2NNH

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CAS No. :636-99-7 Brand :Qitai
Formula :C6H8ClN3O2 M.W :189.60

Introduction

CAS No. :636-99-7 MDL No. :MFCD00040592
Formula : C6H8ClN3O2 Boiling Point : No data available
Linear Structure Formula :H2NNHC6H4NO2·HCl InChI Key :ZWWXDCOPVYATOQ-UHFFFAOYSA-N
M.W : 189.60 Pubchem ID :5463401
Synonyms :
Chemical Name :(4-Nitrophenyl)hydrazine hydrochloride

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 49.44
TPSA : 83.87 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.89 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.21
Log Po/w (WLOGP) : 2.01
Log Po/w (MLOGP) : 0.51
Log Po/w (SILICOS-IT) : -1.4
Consensus Log Po/w : 0.67

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.65
Solubility : 0.429 mg/ml ; 0.00226 mol/l
Class : Soluble
Log S (Ali) : -3.61
Solubility : 0.047 mg/ml ; 0.000248 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.93
Solubility : 2.21 mg/ml ; 0.0117 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.77
Signal Word:Danger Class:4.1
Precautionary Statements:P501-P261-P270-P240-P210-P241-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312 UN#:1325
Hazard Statements:H302+H312+H332-H315-H319-H228 Packing Group:Ⅱ
GHS Pictogram:

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