CAS: 57369-31-0
이름: 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
SMILES:
C1CC2=C3C(=CC=C2)CCC(=O)N3C1Molecular Processing
Molecular formula
C12H13NO
Molecular weight
187.24
Exact mass
187.0997
XLogP
1.91
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
14
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
55.44
Supplementary Information
InChIKey: FSWDXHLZOVHHGV-UHFFFAOYSA-N
동의어
57369-31-01,2,6,7-tetrahydro-5H-pyrido[3,2,1-ij]quinolin-3-one2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-oneSCHEMBL1762224SCHEMBL6990481FSWDXHLZOVHHGV-UHFFFAOYSA-NAT23442SB37741CS-04536861-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
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