N#Cc1c(N)nc(S)c(C#N)c1-c1ccc(OCCO)nc1
名称: compound
SMILES: N#Cc1c(N)nc(S)c(C#N)c1-c1ccc(OCCO)nc1

Molecular Processing

Molecular formula
C14H11N5O2S
Molecular weight
313.34
Exact mass
313.0633
XLogP
1.13
TPSA
128.84
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
81.14

Supplementary Information

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