Molecule

ID:117503

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂O₂
Molecular Mass
176.60086
Exact Mass
176.03525522
Charge
0
InChI
InChI=1S/C6H9ClN2O2/c7-3-6(11)9-2-1-8-5(10)4-9/h1-4H2,(H,8,10)
InChIKey
QVVYHRBAOTZFOZ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCNC(=O)C1
Isomeric Smiles
N1(C(=O)CCl)CC(=O)NCC1
Calculated Properties
JChem
Acid pKa
13.135717
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3224006
LogD (pH = 7.4)
-1.3224013
Log P
-1.3224006
Molar Refractivity
39.847
Polarizability
15.468711
Polar Surface Area
49.41
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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