이름: 7-benzylamino-3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILES:
O=C(O)c1cnc2c(Br)cnn2c1NCc1ccccc1Molecular Processing
Molecular formula
C14H11BrN4O2
Molecular weight
347.17
Exact mass
346.0065
XLogP
2.8
TPSA
79.52
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
81.42
Supplementary Information
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