SMILES:
COc1ccnc(CCc2nc3cc(I)cnc3[nH]2)c1Molecular Processing
Molecular formula
C14H13IN4O
Molecular weight
380.19
Exact mass
380.0134
XLogP
2.75
TPSA
63.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
84.8
Supplementary Information
Details werden geladen…
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