Chemical ID: 4734918

c1cc2c(c[nH]c2c(c1)C(=O)O)C=O
Chemical ID:
4734918
Name [?]:
3-formyl-1H-indole-7-carboxylic acid
SMILES [?]:
c1cc2c(c[nH]c2c(c1)C(=O)O)C=O
InChi [?]:
InChI=1/C10H7NO3/c12-5-6-4-11-9-7(6)2-1-3-8(9)10(13)14/h1-5,11H,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,9,5,13,4,3,8,7,10,6,14,11,12/E:(13,14)/rA:14nCCCCCNCCCCOOCO/rB:s1;d2;s3;d4;s5;s3s6;d7;d1s8;s8;d10;s10;s4;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.57839
Area:347.617
Solvation:-3.11204
Coulombic:-45.2658
Bond Count [?]
All:15
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.168
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.4
LogP (Chemaxon):1.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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