Molecule

ID:14501

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₂
Molecular Mass
158.19826
Exact Mass
158.1055277
Charge
0
InChI
InChI=1S/C7H14N2O2/c10-7(11)1-4-9-5-2-8-3-6-9/h8H,1-6H2,(H,10,11)
InChIKey
RSEHHYMPNZWTGQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1CCNCC1
Isomeric Smiles
N1(CCC(=O)O)CCNCC1
Calculated Properties
JChem
Acid pKa
3.69873
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.3987079
LogD (pH = 7.4)
-3.2188275
Log P
-3.22141
Molar Refractivity
41.5275
Polarizability
16.48107
Polar Surface Area
52.57
Rotatable Bonds
3
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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