Molecule

ID:17670

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇N
Molecular Mass
175.27008
Exact Mass
175.13609955
Charge
0
InChI
InChI=1S/C12H17N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-9H,2-5,13H2,1H3
InChIKey
YJZYMMDEDLLIIP-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc2c(c1)CCCC2)N
Isomeric Smiles
c12c(ccc(c1)C(C)N)CCCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.04217634
LogD (pH = 7.4)
0.6607775
Log P
2.9678435
Molar Refractivity
56.4324
Polarizability
22.071978
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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