Molecule

ID:9970

General Information
Structure
MolImage
Molecular Formula
C₈H₉N
Molecular Mass
119.16376
Exact Mass
119.07349929
Charge
0
InChI
InChI=1S/C8H9N/c1-2-7-3-5-8(9)6-4-7/h2-6H,1,9H2
InChIKey
LBSXSAXOLABXMF-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccc(cc1)N
Isomeric Smiles
c1c(ccc(c1)N)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8422042
LogD (pH = 7.4)
1.8805108
Log P
1.881022
Molar Refractivity
40.4447
Polarizability
15.037337
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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