Molecule

ID:28601

General Information
Structure
Molecular Formula
C₇H₁₆N₂O
Molecular Mass
144.21474
Exact Mass
144.12626314
Charge
0
InChI
InChI=1S/C7H16N2O/c1-9(8)6-4-2-3-5-7(6)10/h6-7,10H,2-5,8H2,1H3/t6-,7-/m1/s1
InChIKey
HBWKTLHWBLKSTB-RNFRBKRXSA-N
Canonic Smiles
CN([C@@H]1CCCC[C@H]1O)N
Isomeric Smiles
[C@H]1(N(N)C)[C@H](O)CCCC1
Calculated Properties
JChem
Acid pKa
14.551663
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.56575114
LogD (pH = 7.4)
-0.15255496
Log P
-0.14365327
Molar Refractivity
41.5532
Polarizability
16.366024
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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