Molecule

ID:124754

General Information
Structure
Molecular Formula
C₁₀H₁₅ClN₂O₂
Molecular Mass
230.6913
Exact Mass
230.08220541
Charge
0
InChI
InChI=1S/C10H14N2O2.ClH/c1-12(2)9-5-4-7(11)6-8(9)10(13)14-3;/h4-6H,11H2,1-3H3;1H
InChIKey
NCTGMNIZNHOBGM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(N)ccc1N(C)C.Cl
Isomeric Smiles
c1(c(ccc(c1)N)N(C)C)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2115707
LogD (pH = 7.4)
1.255254
Log P
1.2558407
Molar Refractivity
57.2123
Polarizability
20.714958
Polar Surface Area
55.56
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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