Molecule

ID:74131

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,10H2,1-2H3
InChIKey
XCCNRBCNYGWTQX-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(C)C
Isomeric Smiles
Nc1cc(ccc1)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.315044
LogD (pH = 7.4)
2.3883092
Log P
2.389329
Molar Refractivity
44.9492
Polarizability
16.955553
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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