Name: product
SMILES:
Cc1ccn2cc(-c3ccc(OCCCCl)cc3C)nc2c1Molecular Processing
Molecular formula
C18H19ClN2O
Molecular weight
314.82
Exact mass
314.1186
XLogP
4.63
TPSA
26.53
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
90.93
Supplementary Information
Details werden geladen…
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