Molecule

ID:90101

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇N
Molecular Mass
175.27008
Exact Mass
175.13609955
Charge
0
InChI
InChI=1S/C12H17N/c1-10-6-5-7-12(11(10)2)13-8-3-4-9-13/h5-7H,3-4,8-9H2,1-2H3
InChIKey
OPHSFWFVNOENHP-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)cccc1N1CCCC1
Isomeric Smiles
N1(c2c(c(ccc2)C)C)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2268515
LogD (pH = 7.4)
3.5088341
Log P
3.5139298
Molar Refractivity
58.11
Polarizability
21.672031
Polar Surface Area
3.24
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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