Molecule

ID:29318

General Information
Structure
Molecular Formula
C₂₁H₂₁NO
Molecular Mass
303.39754
Exact Mass
303.1623143
Charge
0
InChI
InChI=1S/C21H21NO/c1-17-6-5-9-19(14-17)15-22-20-10-12-21(13-11-20)23-16-18-7-3-2-4-8-18/h2-14,22H,15-16H2,1H3
InChIKey
NJASAWNICXGDJE-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)CNc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
N(c1ccc(OCc2ccccc2)cc1)Cc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.148533
LogD (pH = 7.4)
5.2492714
Log P
5.2507205
Molar Refractivity
96.9814
Polarizability
36.851555
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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