Molecule

ID:15791

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H14ClNO/c1-12-6-3-7-13-10-5-2-4-9(11)8-10/h2,4-5,8,12H,3,6-7H2,1H3
InChIKey
UICVFSKWBRBFRF-UHFFFAOYSA-N
Canonic Smiles
CNCCCOc1cccc(c1)Cl
Isomeric Smiles
c1cc(cc(c1)OCCCNC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1083535
LogD (pH = 7.4)
-0.47862324
Log P
2.1151755
Molar Refractivity
54.9158
Polarizability
21.759989
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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