Molecule

ID:17406

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇N
Molecular Mass
187.28078
Exact Mass
187.13609955
Charge
0
InChI
InChI=1S/C13H17N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-8,10,12,14H,2-5H2,1H3
InChIKey
GVYJONDNSWCNHQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)C1CCCCC1N2
Isomeric Smiles
C12c3c(NC1CCCC2)ccc(c3)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.192559
LogD (pH = 7.4)
3.2829628
Log P
3.284247
Molar Refractivity
60.8158
Polarizability
22.774376
Polar Surface Area
12.03
Rotatable Bonds
0
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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