Chemical ID: 4671334

Cc1c(c2ccccc2[nH]1)C(=O)OC
Chemical ID:
4671334
Name [?]:
methyl 2-methyl-1H-indole-3-carboxylate
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C(=O)OC
InChi [?]:
InChI=1/C11H11NO2/c1-7-10(11(13)14-2)8-5-3-4-6-9(8)12-7/h3-6,12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,6,7,5,8,2,4,9,3,11,10,12,13/rA:14nCCCCCCCCCNCOOC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;d11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.20337
Area:359.479
Solvation:-1.78362
Coulombic:-31.1721
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.211
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.27
LogP (Chemaxon):2.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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