[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(4-chlorophenyl)acetate

Formula:C14H12N3O2Cl Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(4-chlorophenyl)acetate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(4-chlorophenyl)acetate
MolecularFormula	C14H12N3O2Cl
Smiles	N/C(/c1ccncc1)=N/OC(Cc(cc1)ccc1Cl)=O
InChI	InChI=1S/C14H12ClN3O2/c15-12-3-1-10(2-4-12)9-13(19)20-18-14(16)11-5-7-17-8-6-11/h1-8H,9H2,(H2,16,18)
InChIK	UQWBKYAGKHCUKA-UHFFFAOYSA-N
TotalMolweight	289.721
Molweight	289.721
MonoisotopicMass	289.061804
CLogP	2.6753
CLogS	-3.442
H Acceptors	5
H Donors	1
TotalSurfaceArea	220.2
Relative PSA	0.27607
PolarSurfaceArea	77.57
Druglikeness	-3.7305
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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