Molecule

ID:13976

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO
Molecular Mass
209.67208
Exact Mass
209.06074169
Charge
0
InChI
InChI=1S/C11H11NO.ClH/c1-8-5-6-11(13-8)9-3-2-4-10(12)7-9;/h2-7H,12H2,1H3;1H
InChIKey
FVIBOUWLJKRWIR-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1ccc(o1)C.Cl
Isomeric Smiles
c1cc(oc1c1cccc(c1)N)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.044614
LogD (pH = 7.4)
2.0512676
Log P
2.0513532
Molar Refractivity
53.4352
Polarizability
21.096903
Polar Surface Area
39.16
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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