Molecule

ID:29634

General Information
Structure
Molecular Formula
C₂₆H₃₁NO
Molecular Mass
373.53044
Exact Mass
373.24056462
Charge
0
InChI
InChI=1S/C26H31NO/c1-2-7-21(8-3-1)18-20-28-25-15-13-24(14-16-25)27-19-17-23-11-6-10-22-9-4-5-12-26(22)23/h4-6,9-16,21,27H,1-3,7-8,17-20H2
InChIKey
BMMPBQBURLIWRH-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CCOc1ccc(cc1)NCCc1cccc2c1cccc2
Isomeric Smiles
c12c(CCNc3ccc(cc3)OCCC3CCCCC3)cccc1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.2370696
LogD (pH = 7.4)
6.75871
Log P
6.771862
Molar Refractivity
118.9558
Polarizability
47.000183
Polar Surface Area
21.26
Rotatable Bonds
8
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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