4-Morpholinoaniline

Name: 4-Morpholinoaniline
SKU: PI2524676
Rating: 5 (1 reviews)

Cat. No.: PI2524676

Product Details Other Identifiers Computed Properties

CAS	2524-67-6
Purity	97%
Molecular Formula	C10H14N2O
Linear Formula	NH2C6H4NO(CH2)4
Molecular Weight	178.23
Molar Refractivity	56.57

Pubchem ID	75655
InChI Key	PHNDZBFLOPIMSM-UHFFFAOYSA-N
MDL Number	MFCD00006169

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	1
Topological Polar Surface Area	38.49 Å²
Heavy Atom Count	13
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.4
Log Po/w (iLOGP)	1.71
Log Po/w (XLOGP3)	0.68
Log Po/w (WLOGP)	0.73
Log Po/w (MLOGP)	0.83
Log Po/w (SILICOS-IT)	1.25
Consensus Log Po/w	1.04
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.9 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	2.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.43

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