SMILES:
O=C(c1ccc(Cl)cc1)c1c(Cl)cc2n1CCC2C(=O)[O-].O=C(c1ccc(Cl)cc1)c1c(Cl)cc2n1CCC2C(=O)[O-].[Ca+2]Molecular Processing
Molecular formula
C30H20CaCl4N2O6
Molecular weight
686.39
Exact mass
683.9701
XLogP
4.15
TPSA
124.26
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
43
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
3
Fraction Csp3
0.2
Molar refractivity
159.14
Supplementary Information
상세 정보 불러오는 중…
1개 반응에 참여→