Molecule

ID:16520

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃ClN₂O
Molecular Mass
176.64392
Exact Mass
176.07164073
Charge
0
InChI
InChI=1S/C7H13ClN2O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6H2,1H3
InChIKey
OTHMDVZIZBUTIE-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCN(CC1)C
Isomeric Smiles
N1(CCN(CC1)C)C(=O)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.0814005
LogD (pH = 7.4)
-0.2333935
Log P
-0.19847281
Molar Refractivity
45.0626
Polarizability
17.496273
Polar Surface Area
23.55
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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