이름: 2,2-dimethyl-4-pyridin-2-yl-3,4-dihydrochromene-6-carboxylic acid
SMILES:
CC1(CC(C2=C(O1)C=CC(=C2)C(=O)O)C3=CC=CC=N3)CMolecular Processing
Molecular formula
C17H17NO3
Molecular weight
283.33
Exact mass
283.1208
XLogP
3.47
TPSA
59.42
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
78.81
Supplementary Information
InChIKey: FTGNBJGKHMGHNC-UHFFFAOYSA-N
동의어
SCHEMBL9524902FTGNBJGKHMGHNC-UHFFFAOYSA-N3,4-dihydro-2,2-dimethyl-4-(2-pyridyl)-2H-1-benzopyran-6-carboxylic acid(-)-3,4-dihydro-2,2-dimethyl-4-(2-pyridyl)-2H-1-benzopyran-6-carboxylic acid
17개 반응에 참여→