[(E)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate

Formula:C15H12N3O2Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate
MolecularFormula	C15H12N3O2Cl
Smiles	N/C(/c1ncccc1)=N/OC(/C=C/c(cccc1)c1Cl)=O
InChI	InChI=1S/C15H12ClN3O2/c16-12-6-2-1-5-11(12)8-9-14(20)21-19-15(17)13-7-3-4-10-18-13/h1-10H,(H2,17,19)
InChIK	BBUCOMSVQDHIMM-UHFFFAOYSA-N
TotalMolweight	301.732
Molweight	301.732
MonoisotopicMass	301.061804
CLogP	3.0604
CLogS	-3.871
H Acceptors	5
H Donors	1
TotalSurfaceArea	232.94
Relative PSA	0.26097
PolarSurfaceArea	77.57
Druglikeness	-3.4162
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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