C23H24N4O3 | Cheminformatics

N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide

Formula:C23H24N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide is a drug-like molecule.

MolNameN-[(Z)-1-(3-nitrophenyl)ethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
MolecularFormulaC23H24N4O3
SmilesC/C(/c1cccc([N+]([O-])=O)c1)=N/NC(CCn1c(cccc2)c2c2c1CCCC2)=O
InChIInChI=1S/C23H24N4O3/c1-16(17-7-6-8-18(15-17)27(29)30)24-25-23(28)13-14-26-21-11-4-2-9-19(21)20-10-3-5-12-22(20)26/h2,4,6-9,11,15H,3,5,10,12-14H2,1H3,(H,25,28)
InChIKJEYZDPDAHKKBCP-UHFFFAOYSA-N
TotalMolweight404.469
Molweight404.469
MonoisotopicMass404.184841
CLogP3.5499
CLogS-5.582
H Acceptors7
H Donors1
TotalSurfaceArea313.99
Relative PSA0.23345
PolarSurfaceArea92.21
Druglikeness-4.6132
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone
Shape Index0.53333
Fragments1
Non HAtoms30
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms8
Aromatic Nitrogens1
AcidicOxygens1
StereoCon

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