SMILES:
O=C(NCC(F)(F)F)C1(CCCCBr)c2ccccc2Oc2ccccc21Molecular Processing
Molecular formula
C20H19BrF3NO2
Molecular weight
442.28
Exact mass
441.0551
XLogP
5.32
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
100.45
Supplementary Information
詳細情報を取得中…
41 件の反応に参加→