Name: 7-bromo-1-butylisoquinoline
SMILES:
CCCCC1=NC=CC2=C1C=C(C=C2)BrMolecular Processing
Molecular formula
C13H14BrN
Molecular weight
264.17
Exact mass
263.031
XLogP
4.34
TPSA
12.89
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
68.06
Supplementary Information
InChIKey: XZIUZTNKKDJKCY-UHFFFAOYSA-N
Synonyme
7-bromo-1-butylisoquinolineSCHEMBL3352267XZIUZTNKKDJKCY-UHFFFAOYSA-N
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