Molecule

ID:20895

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁NO
Molecular Mass
267.36544
Exact Mass
267.1623143
Charge
0
InChI
InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-17(11-9-16)20-18-7-4-12-19-14-18/h1-3,5-6,8-11,18-19H,4,7,12-14H2
InChIKey
OIWXGWDXIVFCBN-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)Oc1ccc(cc1)Cc1ccccc1
Isomeric Smiles
N1CC(Oc2ccc(Cc3ccccc3)cc2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8394998
LogD (pH = 7.4)
1.9545662
Log P
4.0085297
Molar Refractivity
82.194
Polarizability
32.42216
Polar Surface Area
21.26
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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