Molecule

ID:89735

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKey
HVAAHUDGWQAAOJ-UHFFFAOYSA-N
Canonic Smiles
CCNCc1ccccc1
Isomeric Smiles
N(Cc1ccccc1)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3154979
LogD (pH = 7.4)
-0.43676552
Log P
1.8884026
Molar Refractivity
44.0546
Polarizability
17.444126
Polar Surface Area
12.03
Rotatable Bonds
3
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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