Molecule

ID:66298

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁ClN₂O₂
Molecular Mass
296.79244
Exact Mass
296.1291556
Charge
0
InChI
InChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18-9-8-17-13(10-18)11-4-6-12(16)7-5-11/h4-7,13,17H,8-10H2,1-3H3
InChIKey
WWWIVVADARKSAS-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCNC(C1)c1ccc(cc1)Cl)OC(C)(C)C
Isomeric Smiles
N1(CC(NCC1)c1ccc(cc1)Cl)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3816069
LogD (pH = 7.4)
2.779889
Log P
2.942671
Molar Refractivity
79.5315
Polarizability
31.46708
Polar Surface Area
41.57
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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