이름: 5-(2-bromocyclopent-1-enyl)-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILES:
Cc1ccc2c(c1)c1c(n2C2=C(Br)CCC2)CCN(C)C1Molecular Processing
Molecular formula
C18H21BrN2
Molecular weight
345.28
Exact mass
344.0888
XLogP
4.69
TPSA
8.17
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
21
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
92.71
Supplementary Information
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