(1E)-N-(3-Methylphenyl)-1-phenylethan-1-imine

CAS Number: 26625-24-1
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C/C(/c1ccccc1)=N\c1cc(C)ccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C15H15N
Molecular Weight
209.291
Drug-likeness
-0.91106
CAS
26625-24-1
InChI key
YYSXZCAHUANNEB-UHFFFAOYSA-N
SMILES
C/C(/c1ccccc1)=N\c1cc(C)ccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 26625-24-1
Molecule Name (1E)-N-(3-Methylphenyl)-1-phenylethan-1-imine
Molecular Formula C15H15N
SMILES C/C(/c1ccccc1)=N\c1cc(C)ccc1
InChI InChI=1S/C15H15N/c1-12-7-6-10-15(11-12)16-13(2)14-8-4-3-5-9-14/h3-11H,1-2H3
InChI Key YYSXZCAHUANNEB-UHFFFAOYSA-N
CanonicalSyTyLFy 93d28ba7bed1edf2
TotalMolweight 209.291
Molecular Weight 209.291
MonoisotopicMass 209.120449
CLogP 3.3152
CLogS -3.862
H Acceptors 1
TotalSurfaceArea 180.51
Relative PSA 0.063764
PolarSurfaceArea 12.36
Drug-likeness -0.91106
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.625
Molecula Flexibility 0.45028
Molecular Complexity 0.57505
Fragments 1
Non HAtoms 16
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 2
Symmetricatoms 2

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