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2-(naphthalen-2-ylamino)-N-[(Z)-[4-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

Formula:C32H28N6O2 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-(naphthalen-2-ylamino)-N-[(Z)-[4-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is not a drug-like molecule.
MolName2-(naphthalen-2-ylamino)-N-[(Z)-[4-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
MolecularFormulaC32H28N6O2
SmilesO=C(CNc1cc2ccccc2cc1)N/N=C\c1ccc(/C=N\NC(CNc2cc3ccccc3cc2)=O)cc1
InChIInChI=1S/C32H28N6O2/c39-31(21-33-29-15-13-25-5-1-3-7-27(25)17-29)37-35-19-23-9-11-24(12-10-23)20-36-38-32(40)22-34-30-16-14-26-6-2-4-8-28(26)18-30/h1-20,33-34H,21-22H2,(H,37,39)(H,38,40)
InChIKKEJKBIQFCOPOQI-UHFFFAOYSA-N
TotalMolweight528.614
Molweight528.614
MonoisotopicMass528.227374
CLogP5.7162
CLogS-8.682
H Acceptors8
H Donors4
TotalSurfaceArea420.36
Relative PSA0.22585
PolarSurfaceArea106.98
Druglikeness5.0301
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.7
Fragments1
Non HAtoms40
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond10
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms26
Sp3Atoms2
Symmetricatoms21
Amines2
Aromatic Amines2
StereoCon

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