Molecule

ID:82143

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₇NO₂
Molecular Mass
373.48738
Exact Mass
373.20417911
Charge
0
InChI
InChI=1S/C25H27NO2/c1-28-21-12-10-19(11-13-21)25(27)15-14-23-22-9-5-4-8-20(22)18-24(23)26-16-6-2-3-7-17-26/h4-5,8-15H,2-3,6-7,16-18H2,1H3
InChIKey
DNUQFALCPWWMFV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/C1=C(Cc2c1cccc2)N1CCCCCC1
Isomeric Smiles
N1(C2=C(c3ccccc3C2)/C=C/C(=O)c2ccc(cc2)OC)CCCCCC1
Calculated Properties
JChem
Acid pKa
16.271362
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2971082
LogD (pH = 7.4)
4.0659256
Log P
4.811019
Molar Refractivity
117.0949
Polarizability
43.88961
Polar Surface Area
29.54
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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