Molecule

ID:43205

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H14ClNO/c1-7-4-9(11)5-8(10(7)13)6-12(2)3/h4-5,13H,6H2,1-3H3
InChIKey
JEUQZLJVJCKHJK-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1cc(Cl)cc(c1O)C)C
Isomeric Smiles
c1(c(c(cc(c1)Cl)C)O)CN(C)C
Calculated Properties
JChem
Acid pKa
8.080501
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.38177446
LogD (pH = 7.4)
1.2144152
Log P
1.7928143
Molar Refractivity
56.4276
Polarizability
21.599546
Polar Surface Area
23.47
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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