5-Fluoro-2,3-dihydro-1H-indene

Introduction

CAS No. :	37530-82-8	MDL No. :	MFCD16300735
Formula :	C9H9F	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XNSBRSZLJZUOJH-UHFFFAOYSA-N
M.W :	136.17	Pubchem ID :	18993495
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.33
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	39.03
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.14 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.24
Log Po/w (XLOGP3) :	2.81
Log Po/w (WLOGP) :	2.73
Log Po/w (MLOGP) :	3.29
Log Po/w (SILICOS-IT) :	3.55
Consensus Log Po/w :	2.93

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.9
Solubility :	0.172 mg/ml ; 0.00126 mol/l
Class :	Soluble
Log S (Ali) :	-2.47
Solubility :	0.464 mg/ml ; 0.00341 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.48
Solubility :	0.0456 mg/ml ; 0.000335 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.55

Signal Word:	Warning	Class:
Precautionary Statements:	P264-P270-P301+P312-P330	UN#:
Hazard Statements:	H302-H315-H320-H335	Packing Group:
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine