Molecule

ID:29186

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H14ClNO/c1-13-7-6-12-8-9-2-4-10(11)5-3-9/h2-5,12H,6-8H2,1H3
InChIKey
YAKIFYDDSQOBAF-UHFFFAOYSA-N
Canonic Smiles
COCCNCc1ccc(cc1)Cl
Isomeric Smiles
c1(Cl)ccc(cc1)CNCCOC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.94744444
LogD (pH = 7.4)
0.52703714
Log P
2.0886638
Molar Refractivity
55.1543
Polarizability
21.768196
Polar Surface Area
21.26
Rotatable Bonds
5
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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