(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide

Formula:C17H14N3O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide is a drug-like molecule.

MolName(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide
MolecularFormulaC17H14N3O5Cl
Smiles[O-][N+](c1cccc(/C=C/C(NNC(COc(cccc2)c2Cl)=O)=O)c1)=O
InChIInChI=1S/C17H14ClN3O5/c18-14-6-1-2-7-15(14)26-11-17(23)20-19-16(22)9-8-12-4-3-5-13(10-12)21(24)25/h1-10H,11H2,(H,19,22)(H,20,23)
InChIKQMNBDEUZWIYXTF-UHFFFAOYSA-N
TotalMolweight375.767
Molweight375.767
MonoisotopicMass375.062199
CLogP1.2061
CLogS-4.656
H Acceptors8
H Donors2
TotalSurfaceArea280.79
Relative PSA0.31846
PolarSurfaceArea113.25
Druglikeness-4.4597
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functionsaromatic nitro
Shape Index0.65385
Fragments1
Non HAtoms26
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
AcidicOxygens1
StereoCon

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