Molecule
ID:90984
General Information
Molecular Formula
C₆H₇ClO
Molecular Mass
130.57218
Exact Mass
130.01854252
Charge
0
InChI
InChI=1S/C6H7ClO/c1-4-2-5(3-4)6(7)8/h5H,1-3H2
InChIKey
DCQFBXFATWSKAA-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CC(=C)C1
Isomeric Smiles
O=C(C1CC(=C)C1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4737221
LogD (pH = 7.4)
1.4737221
Log P
1.4737221
Molar Refractivity
32.8285
Polarizability
12.766647
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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