Molecule

ID:29593

General Information
Structure
Molecular Formula
C₂₇H₃₃NO₂
Molecular Mass
403.55642
Exact Mass
403.2511293
Charge
0
InChI
InChI=1S/C27H33NO2/c1-22(2)16-18-30-26-14-6-11-24(19-26)21-28-25-13-7-15-27(20-25)29-17-8-12-23-9-4-3-5-10-23/h3-7,9-11,13-15,19-20,22,28H,8,12,16-18,21H2,1-2H3
InChIKey
ZHVFTEVXDQPUKH-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1cccc(c1)CNc1cccc(c1)OCCCc1ccccc1)C
Isomeric Smiles
N(c1cc(OCCCc2ccccc2)ccc1)Cc1cc(OCCC(C)C)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.91977
LogD (pH = 7.4)
6.923725
Log P
6.9237757
Molar Refractivity
126.1816
Polarizability
48.569054
Polar Surface Area
30.49
Rotatable Bonds
12
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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