Molecule

ID:38251

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂Cl₂N₂O₂
Molecular Mass
203.06698
Exact Mass
202.02758299
Charge
0
InChI
InChI=1S/C5H10N2O2.2ClH/c6-5(8)4-3-7-1-2-9-4;;/h4,7H,1-3H2,(H2,6,8);2*1H
InChIKey
FMCGRROSPIYSSC-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1OCCNC1.Cl.Cl
Isomeric Smiles
Cl.C1NCC(OC1)C(=O)N.Cl
Calculated Properties
JChem
Acid pKa
15.743423
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.7223828
LogD (pH = 7.4)
-2.0258245
Log P
-1.528382
Molar Refractivity
31.42
Polarizability
12.694801
Polar Surface Area
64.35
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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