Molecule

ID:74322

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O
Molecular Mass
142.19886
Exact Mass
142.11061308
Charge
0
InChI
InChI=1S/C7H14N2O/c1-2-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
InChIKey
YEQAMPOYHLICPF-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)N1CCNCC1
Isomeric Smiles
N1(CCNCC1)C(=O)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.693224
LogD (pH = 7.4)
-0.9791702
Log P
-0.4183287
Molar Refractivity
39.6416
Polarizability
15.631624
Polar Surface Area
32.34
Rotatable Bonds
1
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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