(1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide 2,2,2-trifluoroacetate

Name: (1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide 2,2,2-trifluoroacetate
SKU: PI361440699
Rating: 5 (1 reviews)

Cat. No.: PI361440699

Product Details Other Identifiers Computed Properties

CAS	361440-69-9
Purity	95%
Molecular Formula	C8H11F3N2O3
Molecular Weight	240.18
Molar Refractivity	50.04

Pubchem ID	71464202
InChI Key	ANTLFTRMIBAQHA-SHLRHQAISA-N
MDL Number	MFCD13151932

Hydrogen Bond Donor Count	3.0
Hydrogen Bond Acceptor Count	7.0
Rotatable Bond Count	2
Topological Polar Surface Area	92.42 Å²
Heavy Atom Count	16
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.75
Log Po/w (iLOGP)	0.43
Log Po/w (XLOGP3)	-2.01
Log Po/w (WLOGP)	0.74
Log Po/w (MLOGP)	-0.22
Log Po/w (SILICOS-IT)	-0.18
Consensus Log Po/w	-0.25
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-9.19 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	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.39

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