Molecule

ID:129412

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO
Molecular Mass
281.39202
Exact Mass
281.17796436
Charge
0
InChI
InChI=1S/C19H23NO/c1-20-14-8-13-17(21)19(20)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17-19,21H,8,13-14H2,1H3
InChIKey
DQNBDZSLMWHFTB-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(C1C(c1ccccc1)c1ccccc1)O
Isomeric Smiles
c1ccccc1C(c1ccccc1)C1C(O)CCCN1C
Calculated Properties
JChem
Acid pKa
14.563476
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.12848738
LogD (pH = 7.4)
1.331721
Log P
3.5373101
Molar Refractivity
87.096
Polarizability
34.207417
Polar Surface Area
23.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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