Molecule

ID:14827

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂O₂
Molecular Mass
204.65402
Exact Mass
204.06655535
Charge
0
InChI
InChI=1S/C8H13ClN2O2/c1-8(2)7(13)10-3-4-11(8)6(12)5-9/h3-5H2,1-2H3,(H,10,13)
InChIKey
QPDIPPJPRSUWBL-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCNC(=O)C1(C)C
Isomeric Smiles
N1(C(C(=O)NCC1)(C)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
13.317284
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.32087046
LogD (pH = 7.4)
-0.3208709
Log P
-0.32087043
Molar Refractivity
49.0542
Polarizability
19.095142
Polar Surface Area
49.41
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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