الاسم: amine
SMILES:
Brc1ccc2[nH]c3c(c2c1)CCCC3Nc1ncccn1Molecular Processing
Molecular formula
C16H15BrN4
Molecular weight
343.23
Exact mass
342.048
XLogP
4.21
TPSA
53.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
87.33
Supplementary Information
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