2-bromo-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide

Formula:C17H15N2OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-bromo-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide is a drug-like molecule.

MolName2-bromo-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
MolecularFormulaC17H15N2OBr
SmilesO=C(c(cccc1)c1Br)N/N=C(\CCC1)/c2c1cccc2
InChIInChI=1S/C17H15BrN2O/c18-15-10-4-3-9-14(15)17(21)20-19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10H,5,7,11H2,(H,20,21)
InChIKVJHFHVPVPMMMIR-UHFFFAOYSA-N
TotalMolweight343.223
Molweight343.223
MonoisotopicMass342.036774
CLogP4.5995
CLogS-5.504
H Acceptors3
H Donors1
TotalSurfaceArea231.61
Relative PSA0.15548
PolarSurfaceArea41.46
Druglikeness-1.2974
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.57143
Fragments1
Non HAtoms21
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
StereoCon

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