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

Formula:C22H22N3OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide is not a drug-like molecule.

MolNameN-[(Z)-(4-chlorophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
MolecularFormulaC22H22N3OCl
SmilesO=C(CCn1c(cccc2)c2c2c1CCCC2)N/N=C\c(cc1)ccc1Cl
InChIInChI=1S/C22H22ClN3O/c23-17-11-9-16(10-12-17)15-24-25-22(27)13-14-26-20-7-3-1-5-18(20)19-6-2-4-8-21(19)26/h1,3,5,7,9-12,15H,2,4,6,8,13-14H2,(H,25,27)
InChIKODIXKEQJVQPWAD-UHFFFAOYSA-N
TotalMolweight379.89
Molweight379.89
MonoisotopicMass379.145139
CLogP5.1396
CLogS-5.498
H Acceptors4
H Donors1
TotalSurfaceArea295.27
Relative PSA0.14522
PolarSurfaceArea46.39
Druglikeness1.4017
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.59259
Fragments1
Non HAtoms27
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms6
Symmetricatoms2
Aromatic Nitrogens1
StereoCon

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