Chemical ID: 6710175

c1ccc2c(c1)cc([nH]2)C(=O)[O-]
Chemical ID:
6710175
Name [?]:
1H-indole-2-carboxylate
SMILES [?]:
c1ccc2c(c1)cc([nH]2)C(=O)[O-]
InChi [?]:
InChI=1/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,4,8,10,9,11,12/E:(11,12)/rA:12nCCCCCCCCNCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6NO2-
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-35.2325
Area:314.658
Solvation:-43.0989
Coulombic:-13.404
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:160.149
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.32
LogP (Chemaxon):1.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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