Chemical ID: 5103249

c1cc(cc(c1)I)CC(C(=O)O)N
Chemical ID:
5103249
Name [?]:
2-amino-3-(3-iodophenyl)-propanoic acid
SMILES [?]:
c1cc(cc(c1)I)CC(C(=O)O)N
InChi [?]:
InChI=1/C9H10INO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,8,3,5,9,10,7,13,11,12/E:(12,13)/rA:13cCCCCCCICCCOON/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s10;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10INO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.55779
Area:383.667
Solvation:-2.03387
Coulombic:-40.136
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:291.086
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-0.31
LogP (Chemaxon):-0.15

Name Annotations

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Descriptor Annotations

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