(1-benzylpyridin-4-ylidene)-nitrosomethanamine

Formula:C13H13N3O Mutagenic:high Tumorigenic:high Reproductive Effective:none (1-benzylpyridin-4-ylidene)-nitrosomethanamine is a drug-like molecule.

MolName	(1-benzylpyridin-4-ylidene)-nitrosomethanamine
MolecularFormula	C13H13N3O
Smiles	NC(N=O)=C1C=CN(Cc2ccccc2)C=C1
InChI	InChI=1S/C13H13N3O/c14-13(15-17)12-6-8-16(9-7-12)10-11-4-2-1-3-5-11/h1-9H,10,14H2
InChIK	QUGJMDFDOCOQGG-UHFFFAOYSA-N
TotalMolweight	227.266
Molweight	227.266
MonoisotopicMass	227.105862
CLogP	0.4715
CLogS	-3.581
H Acceptors	4
H Donors	1
TotalSurfaceArea	186.06
Relative PSA	0.2331
PolarSurfaceArea	58.69
Druglikeness	1.1866
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	nitroso
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	4
BasicNitrogens	2
StereoCon

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