SMILES:
Cl.Cl.c1ccc(CN2CCC3(CC2)c2ccccc2Cn2ccnc23)cc1Molecular Processing
Molecular formula
C22H25Cl2N3
Molecular weight
402.37
Exact mass
401.1426
XLogP
4.67
TPSA
21.06
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
3
Fraction Csp3
0.318
Molar refractivity
114
Supplementary Information
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