4-chloro-N-[2-[(2Z)-2-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide

Formula:C22H16N5O7Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-N-[2-[(2Z)-2-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide is not a drug-like molecule.

MolName	4-chloro-N-[2-[(2Z)-2-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
MolecularFormula	C22H16N5O7Cl
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cccc(/C=N\NC(CNC(c(cc2)ccc2Cl)=O)=O)c1)=O
InChI	InChI=1S/C22H16ClN5O7/c23-16-6-4-15(5-7-16)22(30)24-13-21(29)26-25-12-14-2-1-3-18(10-14)35-20-9-8-17(27(31)32)11-19(20)28(33)34/h1-12H,13H2,(H,24,30)(H,26,29)
InChIK	OBEKCZCIPHHIMU-UHFFFAOYSA-N
TotalMolweight	497.85
Molweight	497.85
MonoisotopicMass	497.073827
CLogP	2.4437
CLogS	-7.441
H Acceptors	12
H Donors	2
TotalSurfaceArea	362.48
Relative PSA	0.36236
PolarSurfaceArea	171.43
Druglikeness	0.19366
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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