이름: 4-amino-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazole
SMILES:
CN1CCN(Cc2nc3c(N)cccc3[nH]2)CC1Molecular Processing
Molecular formula
C13H19N5
Molecular weight
245.33
Exact mass
245.164
XLogP
0.89
TPSA
61.18
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
73.28
Supplementary Information
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