Molecule

ID:16717

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H14ClNO/c11-10-5-2-1-4-9(10)8-12-6-3-7-13/h1-2,4-5,12-13H,3,6-8H2
InChIKey
DFDHIXJRENDGCN-UHFFFAOYSA-N
Canonic Smiles
OCCCNCc1ccccc1Cl
Isomeric Smiles
c1(c(cccc1)Cl)CNCCCO
Calculated Properties
JChem
Acid pKa
15.933823
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.3983495
LogD (pH = 7.4)
0.21727583
Log P
1.5054971
Molar Refractivity
55.2685
Polarizability
21.700304
Polar Surface Area
32.26
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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