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N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(14-phenyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-yl)acetamide

Formula:C25H17N9O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(14-phenyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-yl)acetamide is not a drug-like molecule.
MolNameN-[(Z)-(4-nitrophenyl)methylideneamino]-2-(14-phenyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-yl)acetamide
MolecularFormulaC25H17N9O3
Smiles[O-][N+](c1ccc(/C=N\NC(Cn2c3nc4nnc(-c5ccccc5)n4nc3c3c2cccc3)=O)cc1)=O
InChIInChI=1S/C25H17N9O3/c35-21(28-26-14-16-10-12-18(13-11-16)34(36)37)15-32-20-9-5-4-8-19(20)22-24(32)27-25-30-29-23(33(25)31-22)17-6-2-1-3-7-17/h1-14H,15H2,(H,28,35)
InChIKTYMIAHJIRLQQLT-UHFFFAOYSA-N
TotalMolweight491.47
Molweight491.47
MonoisotopicMass491.145436
CLogP2.0829
CLogS-5.487
H Acceptors12
H Donors1
TotalSurfaceArea362.87
Relative PSA0.34483
PolarSurfaceArea148.18
Druglikeness2.2145
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.56757
Fragments1
Non HAtoms37
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings6
Aromatic Atoms28
Sp3Atoms2
Symmetricatoms4
Aromatic Nitrogens6
AcidicOxygens1
StereoCon

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