Molecule

ID:29466

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO₂
Molecular Mass
313.43388
Exact Mass
313.20417911
Charge
0
InChI
InChI=1S/C20H27NO2/c1-3-5-14-23-19-11-9-17(10-12-19)16-21-18-7-6-8-20(15-18)22-13-4-2/h6-12,15,21H,3-5,13-14,16H2,1-2H3
InChIKey
KYWOPSRZJDHCLF-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)CNc1cccc(c1)OCCC
Isomeric Smiles
N(c1cc(OCCC)ccc1)Cc1ccc(cc1)OCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.054347
LogD (pH = 7.4)
5.058333
Log P
5.058384
Molar Refractivity
96.937
Polarizability
37.171078
Polar Surface Area
30.49
Rotatable Bonds
10
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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