2-[(Z)-N-benzamido-C-(9H-fluoren-2-yl)carbonimidoyl]benzoic acid

Formula:C28H20N2O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(Z)-N-benzamido-C-(9H-fluoren-2-yl)carbonimidoyl]benzoic acid is not a drug-like molecule.

MolName2-[(Z)-N-benzamido-C-(9H-fluoren-2-yl)carbonimidoyl]benzoic acid
MolecularFormulaC28H20N2O3
SmilesOC(c(cccc1)c1/C(/c(cc1)cc(C2)c1-c1c2cccc1)=N\NC(c1ccccc1)=O)=O
InChIInChI=1S/C28H20N2O3/c31-27(18-8-2-1-3-9-18)30-29-26(24-12-6-7-13-25(24)28(32)33)20-14-15-23-21(17-20)16-19-10-4-5-11-22(19)23/h1-15,17H,16H2,(H,30,31)(H,32,33)
InChIKFOMORRMXMQJPQE-UHFFFAOYSA-N
TotalMolweight432.478
Molweight432.478
MonoisotopicMass432.147393
CLogP5.9017
CLogS-8.221
H Acceptors5
H Donors2
TotalSurfaceArea329.08
Relative PSA0.18886
PolarSurfaceArea78.76
Druglikeness3.0085
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.45455
Fragments1
Non HAtoms33
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond5
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms2
Symmetricatoms2
AcidicOxygens1
StereoCon

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