Molecule

ID:123271

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N₃O
Molecular Mass
243.30428
Exact Mass
243.13716218
Charge
0
InChI
InChI=1S/C14H17N3O/c1-16-12-5-3-2-4-11(12)10-13(16)14(18)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3
InChIKey
RPEYOALTSDEQOU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc2c(n1C)cccc2)N1CCNCC1
Isomeric Smiles
c1(n(c2c(c1)cccc2)C)C(=O)N1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2962035
LogD (pH = 7.4)
0.41767582
Log P
0.97774905
Molar Refractivity
71.5459
Polarizability
28.310513
Polar Surface Area
37.27
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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