Molecule

ID:29675

General Information
Structure
Molecular Formula
C₂₂H₂₉NO₃
Molecular Mass
355.47056
Exact Mass
355.21474379
Charge
0
InChI
InChI=1S/C22H29NO3/c1-3-17(2)26-20-11-9-18(10-12-20)15-23-19-6-4-7-21(14-19)25-16-22-8-5-13-24-22/h4,6-7,9-12,14,17,22-23H,3,5,8,13,15-16H2,1-2H3
InChIKey
RNCOUJHRLPXTMN-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)CNc1cccc(c1)OCC1CCCO1)C
Isomeric Smiles
N(c1cc(OCC2OCCC2)ccc1)Cc1ccc(OC(CC)C)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.565649
LogD (pH = 7.4)
4.569598
Log P
4.5696487
Molar Refractivity
105.7369
Polarizability
40.796978
Polar Surface Area
39.72
Rotatable Bonds
9
Lipinski's Rule of Five
true
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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