Molecule

ID:78636

General Information
Structure
Molecular Formula
C₂₂H₂₉NO₄
Molecular Mass
371.46996
Exact Mass
371.20965841
Charge
0
InChI
InChI=1S/C22H29NO4/c1-25-19-7-9-20(10-8-19)27-16-18(24)15-23-13-11-17(12-14-23)21-5-3-4-6-22(21)26-2/h3-10,17-18,24H,11-16H2,1-2H3
InChIKey
AYVJLCPSUQEMNS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCC(CN1CCC(CC1)c1ccccc1OC)O
Isomeric Smiles
N1(CC(COc2ccc(cc2)OC)O)CCC(c2c(cccc2)OC)CC1
Calculated Properties
JChem
Acid pKa
14.079094
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.3142753
LogD (pH = 7.4)
2.0712528
Log P
3.159731
Molar Refractivity
106.2148
Polarizability
41.706367
Polar Surface Area
51.16
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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