Molecule

ID:2667

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₃Se
Molecular Mass
212.10574
Exact Mass
212.99041422
Charge
0
InChI
InChI=1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m1/s1
InChIKey
KGXZPWNBFWCDRF-CQIZIWTCSA-N
Canonic Smiles
C[Se](=O)CC[C@H](C(=O)O)N
Isomeric Smiles
C[Se](=O)CC[C@@H](N)C(=O)O
Calculated Properties
JChem
Acid pKa
1.5960824
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.0143814
LogD (pH = 7.4)
-4.021397
Log P
-4.014408
Molar Refractivity
44.7353
Polarizability
13.020023
Polar Surface Area
80.39
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.89
LOG S
-0.31
Solubility (Water)
1.05e+02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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