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Chemical ID: 4729582
Chemical ID:
4729582
Name [?]:
1-(4-iodophenyl)pyrrole
SMILES [?]:
c1ccn(c1)c2ccc(cc2)I
InChi [?]:
InChI=1/C10H8IN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,8,10,7,11,5,3,9,6,12,4/E:(1,2)(3,4)(5,6)(7,8)/rA:12nCCCNCCCCCCCI/rB:s1;d2;s3;d1s4;s4;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8IN |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.6584 |
Area: | 353.048 |
Solvation: | -1.16781 |
Coulombic: | -6.40432 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 269.082 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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