Molecule

ID:34264

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇N
Molecular Mass
175.27008
Exact Mass
175.13609955
Charge
0
InChI
InChI=1S/C12H17N/c1-2-7-13-12-8-10-5-3-4-6-11(10)9-12/h3-6,12-13H,2,7-9H2,1H3
InChIKey
OYJSAKGCKMRLQO-UHFFFAOYSA-N
Canonic Smiles
CCCNC1Cc2c(C1)cccc2
Isomeric Smiles
c12c(CC(C1)NCCC)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.43121937
LogD (pH = 7.4)
0.054176968
Log P
2.7992418
Molar Refractivity
56.3134
Polarizability
22.075441
Polar Surface Area
12.03
Rotatable Bonds
3
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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