Chemical ID: 4915873

c1cc(cc(c1)N2CCN(CC2)CCc3ccc(c(c3)I)N=[N+]=[N-])C(F)(F)F
Chemical ID:
4915873
Name [?]:
1-[2-(4-azido-3-iodo-phenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-piperazine
SMILES [?]:
c1cc(cc(c1)N2CCN(CC2)CCc3ccc(c(c3)I)N=[N+]=[N-])C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19F3IN5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.31174
Area:622.398
Solvation:-6.24822
Coulombic:-38.9556
Bond Count [?]
All:30
Single:22
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:501.288
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.65
LogP (Chemaxon):4.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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