Molecule

ID:131212

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClN
Molecular Mass
185.69374
Exact Mass
185.0971272
Charge
0
InChI
InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H
InChIKey
TWXDDNPPQUTEOV-UHFFFAOYSA-N
Canonic Smiles
CNC(Cc1ccccc1)C.Cl
Isomeric Smiles
C(c1ccccc1)C(C)NC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9906569
LogD (pH = 7.4)
-0.43709657
Log P
2.236831
Molar Refractivity
48.4798
Polarizability
19.21153
Polar Surface Area
12.03
Rotatable Bonds
3
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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