Chemical ID: 6710094

Cn1c2ccccc2cc1C(=O)[O-]
Chemical ID:
6710094
Name [?]:
1-methylindole-2-carboxylate
SMILES [?]:
Cn1c2ccccc2cc1C(=O)[O-]
InChi [?]:
InChI=1/C10H9NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,9,8,3,10,11,2,12,13/E:(12,13)/rA:13nCNCCCCCCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8NO2-
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-34.8065
Area:326.678
Solvation:-42.9734
Coulombic:-7.23915
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:174.176
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.63
LogP (Chemaxon):1.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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