3,5-dichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine

Formula:C14H10N4O2Cl2 Mutagenic:none Tumorigenic:low Reproductive Effective:low 3,5-dichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine is a drug-like molecule.

MolName	3,5-dichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine
MolecularFormula	C14H10N4O2Cl2
Smiles	[O-][N+](c1c(/C=C/C=N\Nc(ncc(Cl)c2)c2Cl)cccc1)=O
InChI	InChI=1S/C14H10Cl2N4O2/c15-11-8-12(16)14(17-9-11)19-18-7-3-5-10-4-1-2-6-13(10)20(21)22/h1-9H,(H,17,19)
InChIK	GSGAEHQEJCDXGR-UHFFFAOYSA-N
TotalMolweight	337.165
Molweight	337.165
MonoisotopicMass	336.01808
CLogP	4.3297
CLogS	-5.103
H Acceptors	6
H Donors	1
TotalSurfaceArea	249.01
Relative PSA	0.25846
PolarSurfaceArea	83.1
Druglikeness	-3.0391
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - 3,5-dichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine | 2 - 3,5-dichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine

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