4-[[4-[(2Z)-2-[(7-chloro-4-oxochromen-3-yl)methylidene]hydrazinyl]-4-oxobutanoyl]amino]benzoate

Formula:C21H15N3O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[4-[(2Z)-2-[(7-chloro-4-oxochromen-3-yl)methylidene]hydrazinyl]-4-oxobutanoyl]amino]benzoate is a drug-like molecule.

MolName	4-[[4-[(2Z)-2-[(7-chloro-4-oxochromen-3-yl)methylidene]hydrazinyl]-4-oxobutanoyl]amino]benzoate
MolecularFormula	C21H15N3O6Cl
Smiles	[O-]C(c(cc1)ccc1NC(CCC(N/N=C\C1=COc(cc(cc2)Cl)c2C1=O)=O)=O)=O
InChI	InChI=1S/C21H16ClN3O6/c22-14-3-6-16-17(9-14)31-11-13(20(16)28)10-23-25-19(27)8-7-18(26)24-15-4-1-12(2-5-15)21(29)30/h1-6,9-11H,7-8H2,(H,24,26)(H,25,27)(H,29,30)/p-1
InChIK	TZCZAIFUCNEKSA-UHFFFAOYSA-M
TotalMolweight	440.818
Molweight	440.818
MonoisotopicMass	440.064939
CLogP	0.1852
CLogS	-5.364
H Acceptors	9
H Donors	2
TotalSurfaceArea	323.38
Relative PSA	0.34285
PolarSurfaceArea	136.99
Druglikeness	4.4204
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.67742
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 4-[[4-[(2Z)-2-[(7-chloro-4-oxochromen-3-yl)methylidene]hydrazinyl]-4-oxobutanoyl]amino]benzoate | 2 - 4-[[4-[(2Z)-2-[(7-chloro-4-oxochromen-3-yl)methylidene]hydrazinyl]-4-oxobutanoyl]amino]benzoate

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