Molecule

ID:37972

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClNO
Molecular Mass
145.58682
Exact Mass
145.02944156
Charge
0
InChI
InChI=1S/C6H8ClNO/c1-2-5-3-6(4-7)9-8-5/h3H,2,4H2,1H3
InChIKey
XIKYUFRCSIWOSF-UHFFFAOYSA-N
Canonic Smiles
CCc1noc(c1)CCl
Isomeric Smiles
n1oc(cc1CC)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6769372
LogD (pH = 7.4)
1.6769404
Log P
1.6769404
Molar Refractivity
36.4628
Polarizability
13.637852
Polar Surface Area
26.03
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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