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N-(4-chlorophenyl)-3-[4-[(3-nitrophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxo-N-[(E)-3-phenylprop-2-enoyl]propanamide

Formula:C33H23N6O6Cl Mutagenic:low Tumorigenic:high Reproductive Effective:low N-(4-chlorophenyl)-3-[4-[(3-nitrophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxo-N-[(E)-3-phenylprop-2-enoyl]propanamide is not a drug-like molecule.
MolNameN-(4-chlorophenyl)-3-[4-[(3-nitrophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxo-N-[(E)-3-phenylprop-2-enoyl]propanamide
MolecularFormulaC33H23N6O6Cl
Smiles[O-][N+](c1cccc(/N=N/C(C(c2ccccc2)=NN2C(CC(N(C(/C=C/c3ccccc3)=O)c(cc3)ccc3Cl)=O)=O)C2=O)c1)=O
InChIInChI=1S/C33H23ClN6O6/c34-24-15-17-26(18-16-24)38(28(41)19-14-22-8-3-1-4-9-22)29(42)21-30(43)39-33(44)32(31(37-39)23-10-5-2-6-11-23)36-35-25-12-7-13-27(20-25)40(45)46/h1-20,32H,21H2/b19-14?,36-35+/t32-/m1/s1
InChIKIBFXPWCSHKJVQR-ZIPIHLGCSA-N
TotalMolweight635.035
Molweight635.035
MonoisotopicMass634.136761
CLogP5.0603
CLogS-8.463
H Acceptors12
TotalSurfaceArea468.48
Relative PSA0.26513
PolarSurfaceArea157.66
Druglikeness-8.5295
Mutageniclow
Tumorigenichigh
Reproductive Effectivelow
Irritantnone
Nasty Functionsaromatic nitro; azo
Shape Index0.45652
Fragments1
Non HAtoms46
NonCHAtoms13
Electronegative Atoms13
StereoCenters1
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms3
Symmetricatoms6
Amides1
AcidicOxygens1
StereoConracemate

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