Molecule

ID:70547

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO
Molecular Mass
157.59752
Exact Mass
157.02944156
Charge
0
InChI
InChI=1S/C7H8ClNO/c1-5-6(2)9(10)4-3-7(5)8/h3-4H,1-2H3
InChIKey
MCUYHRNUDDANSO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc[n+](c(c1C)C)[O-]
Isomeric Smiles
c1(c(c(cc[n+]1[O-])Cl)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3299916
LogD (pH = 7.4)
1.3300303
Log P
1.3300308
Molar Refractivity
42.5548
Polarizability
15.329343
Polar Surface Area
25.46
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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