Molecule

ID:75564

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClNO
Molecular Mass
171.6241
Exact Mass
171.04509163
Charge
0
InChI
InChI=1S/C8H10ClNO/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,10H,1-2H3
InChIKey
ACQLZHZETZDZFJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Cl)ccc1NC
Isomeric Smiles
Clc1cc(c(cc1)NC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.824643
LogD (pH = 7.4)
1.8914748
Log P
1.8923974
Molar Refractivity
47.5198
Polarizability
17.690733
Polar Surface Area
21.26
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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