Chemical ID: 6733363

Cc1ccc(n1c2ccc(c(c2)C(=O)[O-])O)C
Chemical ID:
6733363
Name [?]:
5-(2,5-dimethylpyrrol-1-yl)-2-hydroxy-benzoate
SMILES [?]:
Cc1ccc(n1c2ccc(c(c2)C(=O)[O-])O)C
InChi [?]:
InChI=1/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,17,3,4,8,9,12,2,5,7,11,10,13,6,16,14,15/E:(1,2)(3,4)(8,9)(16,17)/rA:17nCCCCCNCCCCCCCOO-OC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s10;s5;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12NO3-
All Atoms:29
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-34.8436
Area:401.814
Solvation:-44.889
Coulombic:-18.5589
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:230.239
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.53
LogP (Chemaxon):2.62

Name Annotations

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Descriptor Annotations

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