Molecule

ID:88557

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO
Molecular Mass
213.70384
Exact Mass
213.09204182
Charge
0
InChI
InChI=1S/C11H15NO.ClH/c1-13-10-5-2-4-9(8-10)11(12)6-3-7-11;/h2,4-5,8H,3,6-7,12H2,1H3;1H
InChIKey
IAADDGQTRVUTKB-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C1(N)CCC1.Cl
Isomeric Smiles
NC1(c2cc(ccc2)OC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2320584
LogD (pH = 7.4)
-0.49124
Log P
1.775245
Molar Refractivity
52.6964
Polarizability
21.01965
Polar Surface Area
35.25
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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