Molecule

ID:29328

General Information
Structure
Molecular Formula
C₂₄H₂₇NO
Molecular Mass
345.47728
Exact Mass
345.20926449
Charge
0
InChI
InChI=1S/C24H27NO/c1-19(2)16-17-26-24-14-12-23(13-15-24)25-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-15,19,25H,16-18H2,1-2H3
InChIKey
USKOROHSCKNSBW-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccc(cc1)NCc1ccc(cc1)c1ccccc1)C
Isomeric Smiles
c1(c2ccccc2)ccc(CNc2ccc(cc2)OCCC(C)C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.164539
LogD (pH = 7.4)
6.2694526
Log P
6.2709694
Molar Refractivity
110.886
Polarizability
43.904392
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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