C17H17N2O3Br | Cheminformatics

5-bromo-2-hydroxy-N'-[(Z)-1-(4-methoxyphenyl)prop-1-enyl]benzohydrazide

Formula:C17H17N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:low 5-bromo-2-hydroxy-N'-[(Z)-1-(4-methoxyphenyl)prop-1-enyl]benzohydrazide is a drug-like molecule.

MolName5-bromo-2-hydroxy-N'-[(Z)-1-(4-methoxyphenyl)prop-1-enyl]benzohydrazide
MolecularFormulaC17H17N2O3Br
SmilesC/C=C(/c(cc1)ccc1OC)\NNC(c(cc(cc1)Br)c1O)=O
InChIInChI=1S/C17H17BrN2O3/c1-3-15(11-4-7-13(23-2)8-5-11)19-20-17(22)14-10-12(18)6-9-16(14)21/h3-10,19,21H,1-2H3,(H,20,22)
InChIKDQXWJZMYCAFYBX-UHFFFAOYSA-N
TotalMolweight377.237
Molweight377.237
MonoisotopicMass376.042254
CLogP2.8275
CLogS-4.294
H Acceptors5
H Donors3
TotalSurfaceArea257.9
Relative PSA0.229
PolarSurfaceArea70.59
Druglikeness-0.94765
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.6087
Fragments1
Non HAtoms23
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms2
StereoCon

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