Molecule

ID:59697

General Information
Structure
Molecular Formula
C₁₄H₁₉N₃O₃
Molecular Mass
277.31896
Exact Mass
277.14264148
Charge
0
InChI
InChI=1S/C14H19N3O3/c18-13(5-3-6-14(19)20)17-10-8-16(9-11-17)12-4-1-2-7-15-12/h1-2,4,7H,3,5-6,8-11H2,(H,19,20)
InChIKey
VWJSKYWONUUYBB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC(=O)N1CCN(CC1)c1ccccn1
Isomeric Smiles
N1(C(=O)CCCC(=O)O)CCN(c2ncccc2)CC1
Calculated Properties
JChem
Acid pKa
4.304068
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.8144259
LogD (pH = 7.4)
-1.7495521
Log P
-0.77223676
Molar Refractivity
74.4588
Polarizability
28.180946
Polar Surface Area
73.74
Rotatable Bonds
5
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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