Molecule

ID:73523

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇ClN₂
Molecular Mass
200.70838
Exact Mass
200.10802623
Charge
0
InChI
InChI=1S/C10H16N2.ClH/c1-10(2,3)8-5-4-6-9(7-8)12-11;/h4-7,12H,11H2,1-3H3;1H
InChIKey
XKLKKAKHNGXDPA-UHFFFAOYSA-N
Canonic Smiles
NNc1cccc(c1)C(C)(C)C.Cl
Isomeric Smiles
N(c1cc(ccc1)C(C)(C)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.671476
LogD (pH = 7.4)
2.9059606
Log P
2.9099448
Molar Refractivity
54.4306
Polarizability
20.209278
Polar Surface Area
38.05
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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