Molecule

ID:80407

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N
Molecular Mass
199.29148
Exact Mass
199.13609955
Charge
0
InChI
InChI=1S/C14H17N/c1-2-4-12(5-3-1)10-15-11-13-6-8-14(15)9-7-13/h1-6,8,13-14H,7,9-11H2
InChIKey
XIJKPWGJZNKVHS-UHFFFAOYSA-N
Canonic Smiles
C1CC2C=CC1N(C2)Cc1ccccc1
Isomeric Smiles
N1(C2C=CC(C1)CC2)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.3261146
LogD (pH = 7.4)
2.1002197
Log P
2.95477
Molar Refractivity
64.7165
Polarizability
24.956766
Polar Surface Area
3.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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