Name: 1-[2,8-dichloro-10,11-dihydro-dibenz[b,f]oxepin-10-yl]-piperazine
SMILES:
Clc1ccc2c(c1)CC(N1CCNCC1)c1cc(Cl)ccc1O2Molecular Processing
Molecular formula
C18H18Cl2N2O
Molecular weight
349.26
Exact mass
348.0796
XLogP
4.29
TPSA
24.5
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
93.87
Supplementary Information
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