Nom: histamine H2
SMILES:
NCCc1c[nH]cn1.[H][H]Molecular Processing
Molecular formula
C5H11N3
Molecular weight
113.16
Exact mass
113.0953
XLogP
0.16
TPSA
54.7
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
33.46
Supplementary Information
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