Chemical ID: 5103036

CCOC(=O)c1c(c2ccccc2[nH]1)C=O
Chemical ID:
5103036
Name [?]:
ethyl 3-formyl-1H-indole-2-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2ccccc2[nH]1)C=O
InChi [?]:
InChI=1/C12H11NO3/c1-2-16-12(15)11-9(7-14)8-5-3-4-6-10(8)13-11/h3-7,13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,9,12,15,8,7,13,6,4,14,16,5,3/rA:16nCCOCOCCCCCCCCNCO/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;d8s12;s6s13;s7;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.2477
Area:394.049
Solvation:-3.60353
Coulombic:-37.756
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:217.221
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.16
LogP (Chemaxon):1.78

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Descriptor Annotations

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