Molecule

ID:29006

General Information
Structure
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-14-11-15(2)13-18(12-14)20-10-9-19-16(3)17-7-5-4-6-8-17/h4-8,11-13,16,19H,9-10H2,1-3H3
InChIKey
XZFHCAJZWLGQRA-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCCNC(c2ccccc2)C)cc(c1)C
Isomeric Smiles
c1(cc(cc(c1)C)C)OCCNC(c1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4775172
LogD (pH = 7.4)
2.7082222
Log P
4.619062
Molar Refractivity
84.3594
Polarizability
33.08326
Polar Surface Area
21.26
Rotatable Bonds
6
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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