2-naphthalen-1-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

Formula:C23H17N3O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-naphthalen-1-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.

MolName2-naphthalen-1-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
MolecularFormulaC23H17N3O4
Smiles[O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(Cc2cccc3ccccc23)=O)o1)=O
InChIInChI=1S/C23H17N3O4/c27-23(14-18-6-3-5-16-4-1-2-7-21(16)18)25-24-15-20-12-13-22(30-20)17-8-10-19(11-9-17)26(28)29/h1-13,15H,14H2,(H,25,27)
InChIKMQMUJUDEFSROCZ-UHFFFAOYSA-N
TotalMolweight399.405
Molweight399.405
MonoisotopicMass399.121907
CLogP4.4114
CLogS-7.212
H Acceptors7
H Donors1
TotalSurfaceArea308.47
Relative PSA0.2611
PolarSurfaceArea100.42
Druglikeness1.3926
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.63333
Fragments1
Non HAtoms30
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms2
Symmetricatoms2
AcidicOxygens1
StereoCon

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