Nombre: 3-(4-chloro-phenyl)-2-(tetrahydro-pyran-4-yl)-1,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
SMILES:
Clc1ccc(C2C3=C(CCNCC3)NN2C2CCOCC2)cc1Molecular Processing
Molecular formula
C18H24ClN3O
Molecular weight
333.86
Exact mass
333.1608
XLogP
3.02
TPSA
36.53
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
92.14
Supplementary Information
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