Molecule

ID:13993

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇N
Molecular Mass
187.28078
Exact Mass
187.13609955
Charge
0
InChI
InChI=1S/C13H17N/c1-3-10-13(14,11-4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11,14H2
InChIKey
ZZAIICBSZOFPLR-UHFFFAOYSA-N
Canonic Smiles
C=CCC(c1ccccc1)(CC=C)N
Isomeric Smiles
C(c1ccccc1)(CC=C)(CC=C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.10508421
LogD (pH = 7.4)
0.6848239
Log P
3.1223722
Molar Refractivity
61.9266
Polarizability
24.376156
Polar Surface Area
26.02
Rotatable Bonds
5
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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