2-chloro-5-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzoate

Formula:C16H11N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-5-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzoate is a drug-like molecule.

MolName	2-chloro-5-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzoate
MolecularFormula	C16H11N3O4Cl
Smiles	[O-]C(c(cc(cc1)N/N=C\C=C\c(cccc2)c2[N+]([O-])=O)c1Cl)=O
InChI	InChI=1S/C16H12ClN3O4/c17-14-8-7-12(10-13(14)16(21)22)19-18-9-3-5-11-4-1-2-6-15(11)20(23)24/h1-10,19H,(H,21,22)/p-1
InChIK	BDEJUAPCICSZHR-UHFFFAOYSA-M
TotalMolweight	344.733
Molweight	344.733
MonoisotopicMass	344.043809
CLogP	1.9527
CLogS	-4.65
H Acceptors	7
H Donors	1
TotalSurfaceArea	260.11
Relative PSA	0.31029
PolarSurfaceArea	110.34
Druglikeness	-2.8515
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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