Molecule

ID:84219

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₉Cl₂N₃O
Molecular Mass
374.34836
Exact Mass
373.16876792
Charge
0
InChI
InChI=1S/C18H29Cl2N3O/c1-2-3-4-5-6-7-8-9-10-11-12-21-18(24)22-15-13-16(19)23-17(20)14-15/h13-14H,2-12H2,1H3,(H2,21,22,23,24)
InChIKey
RRMFOCOJOGMCGW-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCNC(=O)Nc1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)NC(=O)NCCCCCCCCCCCC)Cl
Calculated Properties
JChem
Acid pKa
12.559768
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.4123063
LogD (pH = 7.4)
6.4123034
Log P
6.4123063
Molar Refractivity
104.7513
Polarizability
39.58231
Polar Surface Area
54.02
Rotatable Bonds
12
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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