Molecule

ID:1314

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN
Molecular Mass
183.67786
Exact Mass
183.08147713
Charge
0
InChI
InChI=1S/C10H14ClN/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3
InChIKey
HXCXASJHZQXCKK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CC(N)(C)C
Isomeric Smiles
Clc1c(CC(N)(C)C)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.3342247
LogD (pH = 7.4)
0.11074436
Log P
2.6888719
Molar Refractivity
53.1482
Polarizability
21.008842
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.67
LOG S
-3.25
Solubility (Water)
1.04e-01 g/l
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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