名称: (E)-3-(8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)acrylic acid hydrochloride salt
SMILES:
Cl.O=C(O)/C=C/c1cnc2c(c1)CCCC(=O)N2Molecular Processing
Molecular formula
C12H13ClN2O3
Molecular weight
268.7
Exact mass
268.0615
XLogP
1.88
TPSA
79.29
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
69.72
Supplementary Information
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