Name: product
SMILES:
Br.O=C(CC1NCCCC1O)Cn1cnc2cc(Br)c(Cl)cc2c1=OMolecular Processing
Molecular formula
C16H18Br2ClN3O3
Molecular weight
495.6
Exact mass
492.9403
XLogP
2.46
TPSA
84.22
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.438
Molar refractivity
105.69
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→