Chemical ID: 4700347

Cc1nc(nn1c2cc(ccc2Cl)Cl)C(=O)O
Chemical ID:
4700347
Name [?]:
1-(2,5-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
SMILES [?]:
Cc1nc(nn1c2cc(ccc2Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C10H7Cl2N3O2/c1-5-13-9(10(16)17)14-15(5)8-4-6(11)2-3-7(8)12/h2-4H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,10,11,8,2,9,12,7,4,15,14,13,3,5,6,16,17/E:(16,17)/rA:17nCCNCNNCCCCCCClClCOO/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s12;s9;s4;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7Cl2N3O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.51989
Area:430.802
Solvation:-2.25015
Coulombic:-41.2031
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:272.087
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.73
LogP (Chemaxon):3.18

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Descriptor Annotations

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