Molecule

ID:70044

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
InChIKey
AXORVIZLPOGIRG-QMMMGPOBSA-N
Canonic Smiles
NC[C@@H](c1ccccc1)C
Isomeric Smiles
NC[C@@H](c1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.257922
LogD (pH = 7.4)
-0.56309605
Log P
1.7526482
Molar Refractivity
43.758
Polarizability
17.363905
Polar Surface Area
26.02
Rotatable Bonds
2
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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