Molecule

ID:3618

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅N₃O
Molecular Mass
145.2028
Exact Mass
145.12151212
Charge
0
InChI
InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/t5-/m0/s1
InChIKey
HKXLAGBDJVHRQG-YFKPBYRVSA-N
Canonic Smiles
NCCCC[C@@H](C(=O)N)N
Isomeric Smiles
N[C@@H](CCCCN)C(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-5.20
LogD (pH = 5.5)
-7.23
Log P
-1.52
Rotatable Bonds
5
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
10.21
Polar Surface Area
95.13
Polarizability
16.37
Molar Refractivity
39.63
LOG S
0.02
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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