Molecule

ID:130634

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O
Molecular Mass
214.6919
Exact Mass
214.08729079
Charge
0
InChI
InChI=1S/C10H14N2O.ClH/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7;/h4,7-9,11H,2-3,5H2,1H3;1H/t7-,8-,9+;/m0./s1
InChIKey
NSMIYECGCNTSSS-CTERPIQNSA-N
Canonic Smiles
Cc1cc(on1)[C@H]1C[C@H]2N[C@@H]1CC2.Cl
Isomeric Smiles
Cc1cc(on1)[C@H]1C[C@@H]2CC[C@H]1N2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6848505
LogD (pH = 7.4)
-2.0531614
Log P
0.53859335
Molar Refractivity
49.6486
Polarizability
19.115303
Polar Surface Area
38.06
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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