Molecule

ID:69693

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO
Molecular Mass
157.59752
Exact Mass
157.02944156
Charge
0
InChI
InChI=1S/C7H8ClNO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,9H2,1H3
InChIKey
LNKBDFVSILQKSI-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)ccc1Cl
Isomeric Smiles
Nc1cc(c(cc1)Cl)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5885928
LogD (pH = 7.4)
1.5906668
Log P
1.5906932
Molar Refractivity
42.0264
Polarizability
15.872134
Polar Surface Area
35.25
Rotatable Bonds
1
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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