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Chemical ID: 4671334
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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