(R)-But-3-yn-2-ol

Cat. No.: PI42969653

Product Details Other Identifiers Computed Properties

CAS	42969-65-3
Purity	95%
Molecular Formula	C4H6O
Molecular Weight	70.09
Molar Refractivity	20.67

Pubchem ID	638102
InChI Key	GKPOMITUDGXOSB-SCSAIBSYSA-N
MDL Number	MFCD00211237

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	0
Topological Polar Surface Area	20.23 Å²
Heavy Atom Count	5
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.5
Log Po/w (iLOGP)	1.46
Log Po/w (XLOGP3)	0.06
Log Po/w (WLOGP)	0.08
Log Po/w (MLOGP)	0.6
Log Po/w (SILICOS-IT)	0.09
Consensus Log Po/w	0.46
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.68 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	3.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.86

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