Molecule

ID:66554

General Information
Structure
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-11-9-16(8-7-15-11)10-12-3-5-13(6-4-12)14(17)18-2/h3-6,11,15H,7-10H2,1-2H3
InChIKey
UMYOUNGBUSQMCP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)CN1CCNC(C1)C
Isomeric Smiles
C(=O)(c1ccc(cc1)CN1CC(NCC1)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4280782
LogD (pH = 7.4)
-0.14207542
Log P
1.7987663
Molar Refractivity
71.8002
Polarizability
28.116478
Polar Surface Area
41.57
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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