1-(4,5-Dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone

Name: 1-(4,5-Dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
SKU: PI230615517
Rating: 5 (1 reviews)

Cat. No.: PI230615517

Product Details Other Identifiers Computed Properties

CAS	230615-51-7
Purity	97%
Molecular Formula	C13H12F3NO
Molecular Weight	255.24
Molar Refractivity	63.38

Pubchem ID	21864732
InChI Key	LMOTUASGGOAXPT-UHFFFAOYSA-N
MDL Number	MFCD11042282

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.77
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.46
Ghose	None
GI Absorption	High
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.05 cm/s
Log Po/w (iLOGP)	2.31
Log Po/w (MLOGP)	2.72
Log Po/w (SILICOS-IT)	2.75
Log Po/w (WLOGP)	3.54
Log Po/w (XLOGP3)	2.55
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	2.61
Topological Polar Surface Area	20.31 Å²
Veber	0.0

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