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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 :