2-chloro-5-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid

Formula:C15H11N2O3ClF2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-chloro-5-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.

MolName2-chloro-5-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid
MolecularFormulaC15H11N2O3ClF2
SmilesOC(c(cc(cc1)N/N=C\c(cccc2)c2OC(F)F)c1Cl)=O
InChIInChI=1S/C15H11ClF2N2O3/c16-12-6-5-10(7-11(12)14(21)22)20-19-8-9-3-1-2-4-13(9)23-15(17)18/h1-8,15,20H,(H,21,22)
InChIKQUEHZLPABWWSBF-UHFFFAOYSA-N
TotalMolweight340.712
Molweight340.712
MonoisotopicMass340.042626
CLogP5.1014
CLogS-4.52
H Acceptors5
H Donors2
TotalSurfaceArea243.96
Relative PSA0.24229
PolarSurfaceArea70.92
Druglikeness-0.88877
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.56522
Fragments1
Non HAtoms23
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms1
AcidicOxygens1
StereoCon

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