Molecule

ID:57018

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁NO₂
Molecular Mass
283.36484
Exact Mass
283.15722892
Charge
0
InChI
InChI=1S/C18H21NO2/c1-18(2,3)11-8-9-15-13(10-11)16(17(20)21)12-6-4-5-7-14(12)19-15/h4-7,11H,8-10H2,1-3H3,(H,20,21)
InChIKey
OLFUQJZKMJBHMQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c2CC(CCc2nc2c1cccc2)C(C)(C)C
Isomeric Smiles
c1ccc2c(c1)c(c1c(n2)CCC(C1)C(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.782771
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5146997
LogD (pH = 7.4)
1.0830399
Log P
4.066399
Molar Refractivity
82.4672
Polarizability
33.139744
Polar Surface Area
50.19
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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