Molecule

ID:29670

General Information
Structure
Molecular Formula
C₂₃H₃₁NO₃
Molecular Mass
369.49714
Exact Mass
369.23039386
Charge
0
InChI
InChI=1S/C23H31NO3/c1-17(2)19-9-11-21(12-10-19)27-18(3)15-24-20-6-4-7-22(14-20)26-16-23-8-5-13-25-23/h4,6-7,9-12,14,17-18,23-24H,5,8,13,15-16H2,1-3H3
InChIKey
OZCRGGPSQZMBPR-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C(C)C)CNc1cccc(c1)OCC1CCCO1
Isomeric Smiles
c1(ccc(OC(CNc2cc(OCC3OCCC3)ccc2)C)cc1)C(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.005358
LogD (pH = 7.4)
5.012484
Log P
5.0125756
Molar Refractivity
110.1315
Polarizability
42.56543
Polar Surface Area
39.72
Rotatable Bonds
9
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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