Molecule
ID:122774
General Information
Molecular Formula
C₁₂H₁₉N₃O₂
Molecular Mass
237.29816
Exact Mass
237.14772686
Charge
0
InChI
InChI=1S/C12H19N3O2/c1-14-4-6-15(7-5-14)12(16)10-13-9-11-3-2-8-17-11/h2-3,8,13H,4-7,9-10H2,1H3
InChIKey
PDVSXECVCLIKIX-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)CNCc1ccco1
Isomeric Smiles
N1(C(=O)CNCc2occc2)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2429338
LogD (pH = 7.4)
-0.73563397
Log P
-0.4426463
Molar Refractivity
65.4472
Polarizability
25.462357
Polar Surface Area
48.72
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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