Molecule

ID:24497

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈N₂O
Molecular Mass
146.23062
Exact Mass
146.14191321
Charge
0
InChI
InChI=1S/C7H18N2O/c1-8-4-2-5-9-6-3-7-10/h8-10H,2-7H2,1H3
InChIKey
MACUIIDPQRMQQL-UHFFFAOYSA-N
Canonic Smiles
CNCCCNCCCO
Isomeric Smiles
N(CCCO)CCCNC
Calculated Properties
JChem
Acid pKa
15.93384
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-7.101491
LogD (pH = 7.4)
-5.108487
Log P
-1.1274644
Molar Refractivity
43.4409
Polarizability
17.296043
Polar Surface Area
44.29
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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