Ethoxymethylenemalononitrile

Name: Ethoxymethylenemalononitrile
SKU: PI123068
Rating: 5 (1 reviews)

Cat. No.: PI123068

Product Details Other Identifiers Computed Properties

CAS	123-06-8
Purity	95%
Molecular Formula	C6H6N2O
Linear Formula	(NC)2CCHOC2H5
Molecular Weight	122.12
Molar Refractivity	31.07

Pubchem ID	67152
InChI Key	OEICGMPRFOJHKO-UHFFFAOYSA-N
MDL Number	MFCD00001854

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	0.53
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.33
Ghose	None
GI Absorption	High
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.7 cm/s
Log Po/w (iLOGP)	1.48
Log Po/w (MLOGP)	-0.62
Log Po/w (SILICOS-IT)	0.34
Log Po/w (WLOGP)	0.95
Log Po/w (XLOGP3)	0.49
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	2.26
Topological Polar Surface Area	56.81 Å²
Veber	0.0

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