Molecule

ID:4110

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)/t5-/m0/s1
InChIKey
OWOHLURDBZHNGG-YFKPBYRVSA-N
Canonic Smiles
O=C1CNC(=O)[C@H]2N1CCC2
Isomeric Smiles
O=C1CNC(=O)[C@@H]2CCCN12
Calculated Properties
JChem
Acid pKa
11.351039
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3691372
LogD (pH = 7.4)
-1.3691797
Log P
-1.3691367
Molar Refractivity
37.79
Polarizability
14.663719
Polar Surface Area
49.41
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.58
LOG S
0.11
Solubility (Water)
1.97e+02 g/l
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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