Cesium carbonate

Introduction

CAS No. :	534-17-8	MDL No. :	MFCD00010957
Formula :	Cs2CO3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FJDQFPXHSGXQBY-UHFFFAOYSA-L
M.W :	325.82	Pubchem ID :	10796
Synonyms :

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	6.77
TPSA :	63.19 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-8.38 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.13
Log Po/w (WLOGP) :	-2.45
Log Po/w (MLOGP) :	-1.6
Log Po/w (SILICOS-IT) :	-0.44
Consensus Log Po/w :	-0.92

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.78
Solubility :	5.43 mg/ml ; 0.0167 mol/l
Class :	Very soluble
Log S (Ali) :	-0.74
Solubility :	58.8 mg/ml ; 0.181 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	1.49
Solubility :	10000.0 mg/ml ; 30.8 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.4

Signal Word:	Danger	Class:	N/A
Precautionary Statements:	P201-P202-P260-P273-P280-P305+P351+P338+P310-P308+P313-P405-P501	UN#:	N/A
Hazard Statements:	H318-H361-H373-H402	Packing Group:	N/A
GHS Pictogram:

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