Chemical ID: 6835420

Cc1cc(nc(n1)Nc2cccc(c2)C(=O)[O-])C
Chemical ID:
6835420
Name [?]:
3-(4,6-dimethylpyrimidin-2-yl)aminobenzoate
SMILES [?]:
Cc1cc(nc(n1)Nc2cccc(c2)C(=O)[O-])C
InChi [?]:
InChI=1/C13H13N3O2/c1-8-6-9(2)15-13(14-8)16-11-5-3-4-10(7-11)12(17)18/h3-7H,1-2H3,(H,17,18)(H,14,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,18,11,12,10,3,14,2,4,13,9,15,6,7,5,8,16,17/E:(1,2)(8,9)(14,15)(17,18)/rA:18nCCCCNCNNCCCCCCCOO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N3O2-
All Atoms:30
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-33.5461
Area:431.018
Solvation:-44.3216
Coulombic:-22.1655
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:242.253
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.43
LogP (Chemaxon):0.99

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