Molecule

ID:53205

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O
Molecular Mass
268.78234
Exact Mass
268.13424098
Charge
0
InChI
InChI=1S/C14H20N2O.ClH/c1-3-16(2)14(17)12-6-4-5-11(9-12)13-7-8-15-10-13;/h4-6,9,13,15H,3,7-8,10H2,1-2H3;1H
InChIKey
JRKOTWNXVJULFC-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1cccc(c1)C1CNCC1)C.Cl
Isomeric Smiles
c1cc(cc(c1)C(=O)N(CC)C)C1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8722762
LogD (pH = 7.4)
-1.6723785
Log P
1.3664962
Molar Refractivity
70.4214
Polarizability
26.771225
Polar Surface Area
32.34
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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