Molecule

ID:29503

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₃
Molecular Mass
377.47608
Exact Mass
377.19909373
Charge
0
InChI
InChI=1S/C24H27NO3/c1-19-8-6-13-24(16-19)28-20(2)18-25-21-9-7-12-23(17-21)27-15-14-26-22-10-4-3-5-11-22/h3-13,16-17,20,25H,14-15,18H2,1-2H3
InChIKey
IVLQRXRCEOAFSR-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cccc(c1)C)CNc1cccc(c1)OCCOc1ccccc1
Isomeric Smiles
N(c1cc(OCCOc2ccccc2)ccc1)CC(Oc1cc(ccc1)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.499224
LogD (pH = 7.4)
5.5063567
Log P
5.5064483
Molar Refractivity
113.2794
Polarizability
43.68107
Polar Surface Area
39.72
Rotatable Bonds
10
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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