COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1
SMILES: COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1

Molecular Processing

Molecular formula
C22H25Cl2N3O2
Molecular weight
434.37
Exact mass
433.1324
XLogP
6.19
TPSA
69.4
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
120.94

Supplementary Information

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