Molecule

ID:28278

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-2-9-4-3-5-10(8-9)13-11(14)6-7-12/h3-5,8H,2,6-7H2,1H3,(H,13,14)
InChIKey
KBVOIUIGETVACK-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)Nc1cccc(c1)CC
Isomeric Smiles
C(=O)(Nc1cc(ccc1)CC)CCCl
Calculated Properties
JChem
Acid pKa
14.151034
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9433029
LogD (pH = 7.4)
2.9433026
Log P
2.9433029
Molar Refractivity
60.0158
Polarizability
22.471968
Polar Surface Area
29.1
Rotatable Bonds
4
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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