Molecule

ID:72243

General Information
Structure
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Molecular Formula
C₁₁H₁₅ClN₂
Molecular Mass
210.7032
Exact Mass
210.09237617
Charge
0
InChI
InChI=1S/C11H14N2.ClH/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11;/h2-3,6-7,13H,4-5,12H2,1H3;1H
InChIKey
RBHDFGBPJGEYCK-UHFFFAOYSA-N
Canonic Smiles
NCCc1c[nH]c2c1cc(C)cc2.Cl
Isomeric Smiles
[nH]1cc(c2c1ccc(c2)C)CCN.Cl
Calculated Properties
JChem
Acid pKa
17.40123
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.0077838
LogD (pH = 7.4)
-0.27150404
Log P
1.9998589
Molar Refractivity
55.4141
Polarizability
22.534512
Polar Surface Area
41.81
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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