Molecule

ID:127942

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₁NO
Molecular Mass
327.41894
Exact Mass
327.1623143
Charge
0
InChI
InChI=1S/C23H21NO/c1-3-14-24-15-21(19-10-6-7-11-22(19)24)23(25)20-13-12-16(2)17-8-4-5-9-18(17)20/h4-13,15H,3,14H2,1-2H3
InChIKey
DUBUGSKBMMXSOU-UHFFFAOYSA-N
Canonic Smiles
CCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C
Isomeric Smiles
CCCn1cc(c2ccccc12)C(=O)c1ccc(c2ccccc12)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.137265
LogD (pH = 7.4)
6.137265
Log P
6.137265
Molar Refractivity
103.3807
Polarizability
42.139454
Polar Surface Area
22.0
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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