Morpholin-3-one

Cat. No.: PI109115

Product Details Other Identifiers Computed Properties

CAS	109-11-5
Purity	98% GC
Molecular Formula	C4H7NO2
Molecular Weight	101.10
Molar Refractivity	27.23

Pubchem ID	66953
InChI Key	VSEAAEQOQBMPQF-UHFFFAOYSA-N
MDL Number	MFCD00631009

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	0
Topological Polar Surface Area	38.33 Å²
Heavy Atom Count	7
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.75
Log Po/w (iLOGP)	1.06
Log Po/w (XLOGP3)	-0.8
Log Po/w (WLOGP)	-1.25
Log Po/w (MLOGP)	-1.19
Log Po/w (SILICOS-IT)	0.84
Consensus Log Po/w	-0.27
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.48 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	2.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.25

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