26095-97-6 Furan-2,5-dicarbohydrazide

Introduction

CAS No. :	26095-97-6	MDL No. :	MFCD00612475
Formula :	C6H8N4O3	Boiling Point :	-
Linear Structure Formula :	C4H2O(CONHNH2)2	InChI Key :	NAOBCGXDNBUEJF-UHFFFAOYSA-N
M.W :	184.15	Pubchem ID :	232265
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	5.0
Num. H-bond donors :	4.0
Molar Refractivity :	40.5
TPSA :	123.38 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) :	-8.33 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.28
Log Po/w (XLOGP3) :	-1.28
Log Po/w (WLOGP) :	-1.51
Log Po/w (MLOGP) :	-1.47
Log Po/w (SILICOS-IT) :	-1.88
Consensus Log Po/w :	-1.17

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.2
Solubility :	117.0 mg/ml ; 0.637 mol/l
Class :	Very soluble
Log S (Ali) :	-0.81
Solubility :	28.3 mg/ml ; 0.153 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.9
Solubility :	23.5 mg/ml ; 0.127 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.48

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501	UN#:
Hazard Statements:	H302-H312-H332	Packing Group:
GHS Pictogram:

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