(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol

Name: (S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol
SKU: PI877397654
Rating: 5 (1 reviews)

Cat. No.: PI877397654

Product Details Other Identifiers Computed Properties

CAS	877397-65-4
Purity	95%
Molecular Formula	C8H7Cl2FO
Molecular Weight	209.05
Molar Refractivity	47.35

Pubchem ID	11557536
InChI Key	JAOYKRSASYNDGH-BYPYZUCNSA-N
MDL Number	MFCD09863793

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	1
Topological Polar Surface Area	20.23 Å²
Heavy Atom Count	12
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.25
Log Po/w (iLOGP)	2.16
Log Po/w (XLOGP3)	2.79
Log Po/w (WLOGP)	3.28
Log Po/w (MLOGP)	3.44
Log Po/w (SILICOS-IT)	3.53
Consensus Log Po/w	3.04
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.59 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.14

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