Molecule
ID:74542
General Information
Molecular Formula
C₁₃H₁₇N
Molecular Mass
187.28078
Exact Mass
187.13609955
Charge
0
InChI
InChI=1S/C13H17N/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12/h5-7,9-10,14H,2-4,8H2,1H3
InChIKey
UBXDOZCGGFBQQQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1cc2c([nH]1)cccc2
Isomeric Smiles
[nH]1c2c(cccc2)cc1CCCCC
Calculated Properties
JChem
Acid pKa
16.466444
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
4.1277976
LogD (pH = 7.4)
4.1277976
Log P
4.1277976
Molar Refractivity
60.6212
Polarizability
24.804392
Polar Surface Area
15.79
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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