Molecule

ID:45959

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-2-8-5-9(3-4-11(8)12)14-10-6-13-7-10/h3-5,10,13H,2,6-7H2,1H3
InChIKey
JXQRYTJYGHJKSH-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(ccc1Cl)OC1CNC1
Isomeric Smiles
N1CC(Oc2cc(c(cc2)Cl)CC)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.05192209
LogD (pH = 7.4)
1.7025883
Log P
2.901448
Molar Refractivity
57.3938
Polarizability
22.787237
Polar Surface Area
21.26
Rotatable Bonds
3
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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