COc1cc(NC(=O)CCCCCBr)c2nccc(C)c2c1
SMILES: COc1cc(NC(=O)CCCCCBr)c2nccc(C)c2c1

Molecular Processing

Molecular formula
C17H21BrN2O2
Molecular weight
365.27
Exact mass
364.0786
XLogP
4.45
TPSA
51.22
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
93.92

Supplementary Information

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