Name: 4-(2,4-dimethylphenoxy)-2,5-dimethyl-3-chloroaniline
SMILES:
Cc1ccc(Oc2c(C)cc(N)c(C)c2Cl)c(C)c1Molecular Processing
Molecular formula
C16H18ClNO
Molecular weight
275.78
Exact mass
275.1077
XLogP
4.95
TPSA
35.25
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
81.33
Supplementary Information
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