5-Chlorobenzo[d]oxazole-2(3H)-thione

Name: 5-Chlorobenzo[d]oxazole-2(3H)-thione
SKU: PI22876193
Rating: 5 (1 reviews)

Cat. No.: PI22876193

Product Details Other Identifiers Computed Properties

CAS	22876-19-3
Purity	98%
Molecular Formula	C7H4ClNOS
Molecular Weight	185.63
Molar Refractivity	46.41

Pubchem ID	708870
InChI Key	BOBIZYYFYLLRAH-UHFFFAOYSA-N
MDL Number	MFCD00175241

Aromatic Heavy Atoms Number	9
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	2.61
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.0
Ghose	None
GI Absorption	High
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.75 cm/s
Log Po/w (iLOGP)	1.9
Log Po/w (MLOGP)	1.5
Log Po/w (SILICOS-IT)	4.14
Log Po/w (WLOGP)	3.14
Log Po/w (XLOGP3)	2.37
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	0
Synthetic Accessibility	2.37
Topological Polar Surface Area	61.02 Å²
Veber	0.0

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