1-(Ethoxycarbonyl)cyclopropanecarboxylic acid

Cat. No.: PI3697663

Product Details Other Identifiers Computed Properties

CAS	3697-66-3
Purity	98%
Molecular Formula	C7H10O4
Molecular Weight	158.15
Molar Refractivity	36.45

Pubchem ID	11789472
InChI Key	QQUZUWSSLUHHBP-UHFFFAOYSA-N
MDL Number	MFCD08690114

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	4
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.71
Log Po/w (iLOGP)	1.46
Log Po/w (XLOGP3)	0.52
Log Po/w (WLOGP)	0.35
Log Po/w (MLOGP)	0.21
Log Po/w (SILICOS-IT)	0.68
Consensus Log Po/w	0.64
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.9 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.77

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