Molecule

ID:119933

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂
Molecular Mass
210.7032
Exact Mass
210.09237617
Charge
0
InChI
InChI=1S/C11H14N2.ClH/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11;/h3-7,12H,8H2,1-2H3;1H
InChIKey
XJYDLXFETVVFTN-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1c[nH]c2c1cccc2)C.Cl
Isomeric Smiles
c1(c[nH]c2c1cccc2)CN(C)C.Cl
Calculated Properties
JChem
Acid pKa
15.973409
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3010347
LogD (pH = 7.4)
0.14722463
Log P
2.0134046
Molar Refractivity
55.6872
Polarizability
22.700798
Polar Surface Area
19.03
Rotatable Bonds
2
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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