N-[2-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide

Formula:C25H21N4O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide is a drug-like molecule.

MolNameN-[2-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide
MolecularFormulaC25H21N4O2Cl
SmilesO=C(CNC(c(cc1)ccc1Cl)=O)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2
InChIInChI=1S/C25H21ClN4O2/c26-21-12-10-19(11-13-21)25(32)27-15-24(31)29-28-14-20-17-30(16-18-6-2-1-3-7-18)23-9-5-4-8-22(20)23/h1-14,17H,15-16H2,(H,27,32)(H,29,31)
InChIKDPHLIRXJLSYTJB-UHFFFAOYSA-N
TotalMolweight444.921
Molweight444.921
MonoisotopicMass444.135303
CLogP4.421
CLogS-5.202
H Acceptors6
H Donors2
TotalSurfaceArea342.7
Relative PSA0.19662
PolarSurfaceArea75.49
Druglikeness6.7305
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.625
Fragments1
Non HAtoms32
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms2
Symmetricatoms4
Amides1
Aromatic Nitrogens1
StereoCon

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