이름: (10S)-5-(hydroxymethyl)-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
SMILES:
C1CCN2C(C1)C(=O)NC3=C2N=CC(=C3)COMolecular Processing
Molecular formula
C12H15N3O2
Molecular weight
233.27
Exact mass
233.1164
XLogP
0.88
TPSA
65.46
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
63.77
Supplementary Information
InChIKey: TUCORDXPZRSXKS-JTQLQIEISA-N
동의어
SCHEMBL708661TUCORDXPZRSXKS-JTQLQIEISA-N(S)-3-(hydroxymethyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one
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