Molecule

ID:82142

General Information
Structure
Molecular Formula
C₂₅H₂₇NO
Molecular Mass
357.48798
Exact Mass
357.20926449
Charge
0
InChI
InChI=1S/C25H27NO/c1-19-9-8-11-21(17-19)25(27)14-13-23-22-12-5-4-10-20(22)18-24(23)26-15-6-2-3-7-16-26/h4-5,8-14,17H,2-3,6-7,15-16,18H2,1H3
InChIKey
ZCAQEGDWUKAAOA-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C(=O)/C=C/C1=C(Cc2c1cccc2)N1CCCCCC1
Isomeric Smiles
N1(C2=C(c3ccccc3C2)/C=C/C(=O)c2cccc(c2)C)CCCCCC1
Calculated Properties
JChem
Acid pKa
16.222813
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9771037
LogD (pH = 7.4)
4.7451425
Log P
5.4821115
Molar Refractivity
115.6729
Polarizability
43.17238
Polar Surface Area
20.31
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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