Molecule

ID:90178

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO
Molecular Mass
209.67208
Exact Mass
209.06074169
Charge
0
InChI
InChI=1S/C11H12ClNO/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2
InChIKey
DDDOTKBSNHPPNT-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)Cl)N1CCCC1
Isomeric Smiles
N1(C(=O)c2ccc(cc2)Cl)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2810802
LogD (pH = 7.4)
2.2810805
Log P
2.2810805
Molar Refractivity
57.2756
Polarizability
21.673159
Polar Surface Area
20.31
Rotatable Bonds
1
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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