CCCCCCCCCCCCn1c2ccc(Cl)cc2c2cc3c(cc21)c1cc(Cl)ccc1n3CCCCCCCCCCCC
SMILES: CCCCCCCCCCCCn1c2ccc(Cl)cc2c2cc3c(cc21)c1cc(Cl)ccc1n3CCCCCCCCCCCC

Molecular Processing

Molecular formula
C42H58Cl2N2
Molecular weight
661.85
Exact mass
660.3977
XLogP
15.05
TPSA
9.86
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
22
Heavy atoms
46
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
206.15

Supplementary Information

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