Molecule

ID:31107

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H14ClNO/c1-4-12-7(2)5-9(8(12)3)10(13)6-11/h5H,4,6H2,1-3H3
InChIKey
MZROZFPFLUMMOS-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1cc(n(c1C)CC)C
Isomeric Smiles
c1(c(n(c(c1)C)CC)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.359237
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.127728
LogD (pH = 7.4)
2.127728
Log P
2.127728
Molar Refractivity
55.9175
Polarizability
20.735136
Polar Surface Area
22.0
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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