Molecule

ID:29456

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉NO₃
Molecular Mass
391.50266
Exact Mass
391.21474379
Charge
0
InChI
InChI=1S/C25H29NO3/c1-2-3-16-27-25-11-7-8-22(19-25)26-20-21-12-14-24(15-13-21)29-18-17-28-23-9-5-4-6-10-23/h4-15,19,26H,2-3,16-18,20H2,1H3
InChIKey
GKVXCSGZBOAOBF-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)NCc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
N(c1cc(OCCCC)ccc1)Cc1ccc(cc1)OCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.8190665
LogD (pH = 7.4)
5.823052
Log P
5.823103
Molar Refractivity
118.2166
Polarizability
45.600418
Polar Surface Area
39.72
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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