Ethane-1,2-diol

Cat. No.: PI107211

Product Details Other Identifiers Computed Properties

CAS	107-21-1
Purity	99%
Molecular Formula	C2H6O2
Molecular Weight	62.07
Molar Refractivity	14.05

MDL Number

MFCD00002885

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	1
Topological Polar Surface Area	40.46 Å²
Heavy Atom Count	4
Aromatic Heavy Atoms Number	0
Fraction Csp3	1.0
Log Po/w (iLOGP)	0.7
Log Po/w (XLOGP3)	-1.36
Log Po/w (WLOGP)	-1.03
Log Po/w (MLOGP)	-1.15
Log Po/w (SILICOS-IT)	-0.64
Consensus Log Po/w	-0.7
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.64 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	2.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.0

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