Molecule

ID:127420

General Information
Structure
MolImage
Molecular Formula
C₂₈H₃₆Cl₂N₂O
Molecular Mass
487.50424
Exact Mass
486.22046914
Charge
0
InChI
InChI=1S/C28H36Cl2N2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-23(30)15-16-26(24)31-28(25)21-11-13-22(29)14-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3
InChIKey
XTZUPNNVXIMWAR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCN(C(=O)Cc1c([nH]c2c1cc(Cl)cc2)c1ccc(cc1)Cl)CCCCCC
Isomeric Smiles
c1cc(Cl)ccc1c1[nH]c2ccc(Cl)cc2c1CC(=O)N(CCCCCC)CCCCCC
Calculated Properties
JChem
Acid pKa
14.653655
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
8.551554
LogD (pH = 7.4)
8.551554
Log P
8.551554
Molar Refractivity
140.8422
Polarizability
57.231926
Polar Surface Area
36.1
Rotatable Bonds
13
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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