Molecule
ID:120700
General Information
Molecular Formula
C₁₃H₁₉N₃O
Molecular Mass
233.30946
Exact Mass
233.15281224
Charge
0
InChI
InChI=1S/C13H19N3O/c1-2-13(17)16-9-7-15(8-10-16)12-5-3-11(14)4-6-12/h3-6H,2,7-10,14H2,1H3
InChIKey
HGKMBDIMUDDXFR-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)N1CCN(CC1)c1ccc(cc1)N
Isomeric Smiles
N1(C(=O)CC)CCN(c2ccc(N)cc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5149555
LogD (pH = 7.4)
1.0146644
Log P
1.0269135
Molar Refractivity
70.1352
Polarizability
25.976175
Polar Surface Area
49.57
Rotatable Bonds
2
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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