Molecule

ID:117781

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClNO
Molecular Mass
189.68244
Exact Mass
189.09204182
Charge
0
InChI
InChI=1S/C9H16ClNO/c1-2-8-5-3-4-6-11(8)9(12)7-10/h8H,2-7H2,1H3
InChIKey
VZNWFNUBOBSJLK-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1C(=O)CCl
Isomeric Smiles
N1(C(=O)CCl)C(CC)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7438712
LogD (pH = 7.4)
1.7438712
Log P
1.7438712
Molar Refractivity
50.0973
Polarizability
19.627949
Polar Surface Area
20.31
Rotatable Bonds
2
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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