N-[(Z)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-2-hydroxybenzamide

Formula:C17H13N5O2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-2-hydroxybenzamide is a drug-like molecule.

MolNameN-[(Z)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-2-hydroxybenzamide
MolecularFormulaC17H13N5O2F2
SmilesOc(cccc1)c1C(N/N=C(\Cn1ncnc1)/c(ccc(F)c1)c1F)=O
InChIInChI=1S/C17H13F2N5O2/c18-11-5-6-12(14(19)7-11)15(8-24-10-20-9-21-24)22-23-17(26)13-3-1-2-4-16(13)25/h1-7,9-10,25H,8H2,(H,23,26)
InChIKIMIWVYCYHVEMHV-UHFFFAOYSA-N
TotalMolweight357.319
Molweight357.319
MonoisotopicMass357.103731
CLogP1.8724
CLogS-4.194
H Acceptors7
H Donors2
TotalSurfaceArea264.49
Relative PSA0.2946
PolarSurfaceArea92.4
Druglikeness4.462
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.5
Fragments1
Non HAtoms26
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Aromatic Nitrogens3
StereoCon

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