Chemical ID: 4729582

c1ccn(c1)c2ccc(cc2)I
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue