CC[N+]1(CC)CCC(OC(=O)C(O)(c2ccc(Cl)cc2)C2CCC(F)(F)C2)CC1
SMILES: CC[N+]1(CC)CCC(OC(=O)C(O)(c2ccc(Cl)cc2)C2CCC(F)(F)C2)CC1

Molecular Processing

Molecular formula
C22H31ClF2NO3+
Molecular weight
430.94
Exact mass
430.1955
XLogP
4.53
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
1
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
107.83

Supplementary Information

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