Chemical ID: 5133139

c1ccc(cc1)c2ccc3cc([nH]c3c2)C(=O)O
Chemical ID:
5133139
Name [?]:
6-phenyl-1H-indole-2-carboxylic acid
SMILES [?]:
c1ccc(cc1)c2ccc3cc([nH]c3c2)C(=O)O
InChi [?]:
InChI=1/C15H11NO2/c17-15(18)14-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h1-9,16H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,9,15,11,4,7,10,14,12,16,13,17,18/E:(2,3)(4,5)(17,18)/rA:18nCCCCCCCCCCCCNCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d10s13;d7s14;s12;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.5384
Area:422.272
Solvation:-2.0184
Coulombic:-41.8034
Bond Count [?]
All:20
Single:12
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:237.253
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.74
LogP (Chemaxon):3.41

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Descriptor Annotations

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