Molecule

ID:29641

General Information
Structure
Molecular Formula
C₂₄H₃₃NO
Molecular Mass
351.52492
Exact Mass
351.25621468
Charge
0
InChI
InChI=1S/C24H33NO/c1-19(2)22-10-8-21(9-11-22)18-25-23-12-14-24(15-13-23)26-17-16-20-6-4-3-5-7-20/h8-15,19-20,25H,3-7,16-18H2,1-2H3
InChIKey
ADXFSHSUYCUAAP-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)CNc1ccc(cc1)OCCC1CCCCC1)C
Isomeric Smiles
c1(ccc(CNc2ccc(cc2)OCCC2CCCCC2)cc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.6323004
LogD (pH = 7.4)
6.7372165
Log P
6.7387333
Molar Refractivity
111.9414
Polarizability
43.09542
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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