Molecule

ID:28982

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉N
Molecular Mass
261.36086
Exact Mass
261.15174961
Charge
0
InChI
InChI=1S/C19H19N/c1-15-9-11-18(12-10-15)20-14-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,20H,13-14H2,1H3
InChIKey
CBEPUXDVAVZKOB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)NCCc1cccc2c1cccc2
Isomeric Smiles
c12c(CCNc3ccc(cc3)C)cccc1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.7516394
LogD (pH = 7.4)
4.958656
Log P
4.9620566
Molar Refractivity
87.1108
Polarizability
34.144493
Polar Surface Area
12.03
Rotatable Bonds
4
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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