Molecule

ID:23364

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇N₃O
Molecular Mass
219.28288
Exact Mass
219.13716218
Charge
0
InChI
InChI=1S/C12H17N3O/c1-14-5-7-15(8-6-14)12(16)10-3-2-4-11(13)9-10/h2-4,9H,5-8,13H2,1H3
InChIKey
ZULOTYWZYPALJU-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)c1cccc(c1)N
Isomeric Smiles
C(=O)(N1CCN(CC1)C)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1474612
LogD (pH = 7.4)
0.16459912
Log P
0.28943187
Molar Refractivity
65.6803
Polarizability
24.303783
Polar Surface Area
49.57
Rotatable Bonds
1
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
References
Bioactivity
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