Molecule

ID:103098

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₄O₄
Molecular Mass
344.79394
Exact Mass
344.12513285
Charge
0
InChI
InChI=1S/C14H20N4O4.ClH/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17);1H/t11-;/m0./s1
InChIKey
HHCPMSWPCALFQJ-MERQFXBCSA-N
Canonic Smiles
NC(=N)NCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1.Cl
Isomeric Smiles
Cl.NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.545647
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-0.9752472
LogD (pH = 7.4)
-0.9713254
Log P
-0.9713116
Molar Refractivity
89.6031
Polarizability
30.55152
Polar Surface Area
137.53
Rotatable Bonds
9
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
No Data Available
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Molecule Details
References
Bioactivity
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