Chemical ID: 4724401

CCn1cc(c2c1cccc2)C(=O)O
Chemical ID:
4724401
Name [?]:
1-ethylindole-3-carboxylic acid
SMILES [?]:
CCn1cc(c2c1cccc2)C(=O)O
InChi [?]:
InChI=1/C11H11NO2/c1-2-12-7-9(11(13)14)8-5-3-4-6-10(8)12/h3-7H,2H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,10,9,11,8,4,6,5,7,12,3,13,14/E:(13,14)/rA:14nCCNCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;s3s6;d7;s8;d9;d6s10;s5;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.19971
Area:354.544
Solvation:-1.66389
Coulombic:-34.334
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.211
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.43
LogP (Chemaxon):2.55

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