Molecule

ID:18648

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂O
Molecular Mass
144.21474
Exact Mass
144.12626314
Charge
0
InChI
InChI=1S/C7H16N2O/c1-9-4-2-7(10,6-8)3-5-9/h10H,2-6,8H2,1H3
InChIKey
JUHFGHWNBYGKCW-UHFFFAOYSA-N
Canonic Smiles
NCC1(O)CCN(CC1)C
Isomeric Smiles
N1(CCC(CC1)(O)CN)C
Calculated Properties
JChem
Acid pKa
14.346878
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-7.5203137
LogD (pH = 7.4)
-5.064677
Log P
-1.3649861
Molar Refractivity
41.5518
Polarizability
16.56564
Polar Surface Area
49.49
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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