Molecule

ID:62306

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₄O
Molecular Mass
272.3455
Exact Mass
272.16371128
Charge
0
InChI
InChI=1S/C15H20N4O/c1-10-2-5-13(9-17-10)15-19-18-14(20-15)12-6-3-11(8-16)4-7-12/h2,5,9,11-12H,3-4,6-8,16H2,1H3/t11-,12-
InChIKey
CTFNUOBRMISUAN-HAQNSBGRSA-N
Canonic Smiles
NC[C@@H]1CC[C@H](CC1)c1nnc(o1)c1ccc(nc1)C
Isomeric Smiles
c1(oc(nn1)[C@@H]1CC[C@H](CC1)CN)c1cnc(cc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1023798
LogD (pH = 7.4)
-1.6626159
Log P
0.9511329
Molar Refractivity
88.2205
Polarizability
30.194103
Polar Surface Area
77.83
Rotatable Bonds
3
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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