Molecule

ID:26847

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-7-4-3-5-9(6-7)8(2)10/h3-6,8H,10H2,1-2H3
InChIKey
HIJMHAFOUAKOMS-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C(N)C
Isomeric Smiles
c1(cc(ccc1)C)C(N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9798743
LogD (pH = 7.4)
-0.26066512
Log P
2.0290108
Molar Refractivity
43.9914
Polarizability
17.36113
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
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References
Bioactivity
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