C1CCN(C1)CCCOC2=CC=C(C=C2)I
CAS: 415934-29-1
Name: 1-[3-(4-iodophenoxy)propyl]pyrrolidine
SMILES: C1CCN(C1)CCCOC2=CC=C(C=C2)I

Molecular Processing

Molecular formula
C13H18INO
Molecular weight
331.2
Exact mass
331.0433
XLogP
3.16
TPSA
12.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
74.95

Supplementary Information

InChIKey: PUTMAMYIBZIZPO-UHFFFAOYSA-N
Synonyme
1-[3-(4-iodophenoxy)propyl]pyrrolidine1-(3-(4-Iodophenoxy)propyl)pyrrolidineCambridge id 5361839SCHEMBL73562PUTMAMYIBZIZPO-UHFFFAOYSA-NAKOS0061501541-[3-(4-Iodophenoxy)propyl]-pyrrolidineAB00083003-01A1-75433415934-29-1
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