Molecule

ID:1340

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)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3
InChIKey
ZCKAMNXUHHNZLN-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)Cl)(N)C
Isomeric Smiles
Clc1ccc(CC(N)(C)C)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.3357499
LogD (pH = 7.4)
0.06515853
Log P
2.6888719
Molar Refractivity
53.1482
Polarizability
21.005404
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.81
LOG S
-3.24
Solubility (Water)
1.05e-01 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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