Molecule

ID:30903

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₃
Molecular Mass
200.23494
Exact Mass
200.11609238
Charge
0
InChI
InChI=1S/C9H16N2O3/c10-8(12)3-5-11-4-1-2-7(6-11)9(13)14/h7H,1-6H2,(H2,10,12)(H,13,14)
InChIKey
HFVYPZBFOFKRQS-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCN1CCCC(C1)C(=O)O
Isomeric Smiles
C1(C(=O)O)CN(CCC(=O)N)CCC1
Calculated Properties
JChem
Acid pKa
3.5630372
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.407162
LogD (pH = 7.4)
-3.4045916
Log P
-3.4037452
Molar Refractivity
50.8222
Polarizability
19.891874
Polar Surface Area
83.63
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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