Molecule

ID:29279

General Information
Structure
MolImage
Molecular Formula
C₂₇H₃₃NO₃
Molecular Mass
419.55582
Exact Mass
419.24604392
Charge
0
InChI
InChI=1S/C27H33NO3/c1-2-3-4-8-19-29-27-17-13-24(14-18-27)28-22-23-11-15-26(16-12-23)31-21-20-30-25-9-6-5-7-10-25/h5-7,9-18,28H,2-4,8,19-22H2,1H3
InChIKey
OQTTZHYSQTWQQB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)NCc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
N(c1ccc(cc1)OCCCCCC)Cc1ccc(cc1)OCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
6.605819
LogD (pH = 7.4)
6.710724
Log P
6.7122407
Molar Refractivity
127.4186
Polarizability
49.290165
Polar Surface Area
39.72
Rotatable Bonds
14
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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