Molecule

ID:18970

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇N
Molecular Mass
175.27008
Exact Mass
175.13609955
Charge
0
InChI
InChI=1S/C12H17N/c1-9-5-6-11(8-10(9)2)12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKey
UWEGZHRBGMAQHN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)C1CCCN1
Isomeric Smiles
c1(cc(c(cc1)C)C)C1NCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.21386178
LogD (pH = 7.4)
0.02842517
Log P
3.024002
Molar Refractivity
56.5996
Polarizability
22.073977
Polar Surface Area
12.03
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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