Molecule

ID:60656

General Information
Structure
Molecular Formula
C₂₅H₂₃NO₂
Molecular Mass
369.45562
Exact Mass
369.17287898
Charge
0
InChI
InChI=1S/C25H23NO2/c1-17-16-25(2,3)26-23-14-13-21(15-22(17)23)28-24(27)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-16,26H,1-3H3
InChIKey
UODBHJHLEHHAKD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)c1ccccc1)Oc1ccc2c(c1)C(=CC(N2)(C)C)C
Isomeric Smiles
C1(=CC(Nc2c1cc(OC(=O)c1ccc(cc1)c1ccccc1)cc2)(C)C)C
Calculated Properties
JChem
Acid pKa
19.265255
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.093654
LogD (pH = 7.4)
6.112133
Log P
6.112374
Molar Refractivity
115.4031
Polarizability
44.81816
Polar Surface Area
38.33
Rotatable Bonds
4
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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