Succinic acid

Introduction

CAS No. :	110-15-6	MDL No. :	MFCD00002789
Formula :	C4H6O4	Boiling Point :	-
Linear Structure Formula :	(CH2C(O)OH)2	InChI Key :	-
M.W :	118.09	Pubchem ID :	-
Synonyms :	Wormwood acid

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	24.89
TPSA :	74.6 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) :	-7.44 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.32
Log Po/w (XLOGP3) :	-0.59
Log Po/w (WLOGP) :	-0.06
Log Po/w (MLOGP) :	-0.54
Log Po/w (SILICOS-IT) :	-0.63
Consensus Log Po/w :	-0.3

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	0.0
Solubility :	117.0 mg/ml ; 0.994 mol/l
Class :	Very soluble
Log S (Ali) :	-0.51
Solubility :	36.9 mg/ml ; 0.312 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.61
Solubility :	486.0 mg/ml ; 4.11 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.29

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362	UN#:	N/A
Hazard Statements:	H315-H319	Packing Group:	N/A
GHS Pictogram:

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