이름: 1,2,3,4-tetrahydro-1-hydroxy-1-(4-methylphenyl)-4,4-dimethyl-7-bromonaphthalene
SMILES:
Cc1ccc(C2(O)CCC(C)(C)c3ccc(Br)cc32)cc1Molecular Processing
Molecular formula
C19H21BrO
Molecular weight
345.28
Exact mass
344.0776
XLogP
5.06
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
90.58
Supplementary Information
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