Molecule

ID:52803

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2/h3-6H,1-2H3
InChIKey
WRVHQEYBCDPZEU-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(Cl)ccnc2cc1OC
Isomeric Smiles
c1(c(cc2c(c1)c(ccn2)Cl)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4068031
LogD (pH = 7.4)
2.4194388
Log P
2.4196026
Molar Refractivity
57.7105
Polarizability
23.843548
Polar Surface Area
31.35
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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