Molecule

ID:16265

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₂
Molecular Mass
211.6449
Exact Mass
211.04000625
Charge
0
InChI
InChI=1S/C10H10ClNO2/c1-2-14-10(13)4-3-8-5-6-12-9(11)7-8/h3-7H,2H2,1H3/b4-3+
InChIKey
CVPOUFVXENKYKW-ONEGZZNKSA-N
Canonic Smiles
CCOC(=O)/C=C/c1ccnc(c1)Cl
Isomeric Smiles
c1cnc(cc1/C=C/C(=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4786522
LogD (pH = 7.4)
2.4786708
Log P
2.478671
Molar Refractivity
56.2868
Polarizability
21.184448
Polar Surface Area
39.19
Rotatable Bonds
4
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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