Name: pH10
SMILES:
Cc1ccc(COC(=O)NNC(=O)c2cnccn2)cc1Molecular Processing
Molecular formula
C14H14N4O3
Molecular weight
286.29
Exact mass
286.1066
XLogP
1.36
TPSA
93.21
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
74
Supplementary Information
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