Molecule

ID:101404

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O
Molecular Mass
207.27218
Exact Mass
207.13716218
Charge
0
InChI
InChI=1S/C11H17N3O/c1-9-6-12-7-11(13-9)14-4-2-10(8-15)3-5-14/h6-7,10,15H,2-5,8H2,1H3
InChIKey
KGGNRLCKRDFLQP-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(CC1)c1cncc(n1)C
Isomeric Smiles
N1(c2nc(cnc2)C)CCC(CC1)CO
Calculated Properties
JChem
Acid pKa
15.46715
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.14977576
LogD (pH = 7.4)
0.15042458
Log P
0.15043285
Molar Refractivity
59.6201
Polarizability
22.384224
Polar Surface Area
49.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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