Molecule

ID:68644

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N
Molecular Mass
199.29148
Exact Mass
199.13609955
Charge
0
InChI
InChI=1S/C14H17N/c1-14(2,15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,10,15H2,1-2H3
InChIKey
MUSKTCTZFQZRIL-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc2c(c1)cccc2)(N)C
Isomeric Smiles
C(C(C)(N)C)c1cc2c(cc1)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.049708046
LogD (pH = 7.4)
0.45140398
Log P
3.0743039
Molar Refractivity
64.7936
Polarizability
26.846642
Polar Surface Area
26.02
Rotatable Bonds
2
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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