Chemical ID: 4779373

COC(=O)c1cc(n(n1)c2cc(cc(c2)Cl)Cl)O
Chemical ID:
4779373
Name [?]:
methyl 1-(3,5-dichlorophenyl)-5-hydroxy-pyrazole-3-carboxylate
SMILES [?]:
COC(=O)c1cc(n(n1)c2cc(cc(c2)Cl)Cl)O
InChi [?]:
InChI=1/C11H8Cl2N2O3/c1-18-11(17)9-5-10(16)15(14-9)8-3-6(12)2-7(13)4-8/h2-5,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,11,15,6,12,14,10,5,7,3,17,16,9,8,18,4,2/E:(3,4)(6,7)(12,13)/rA:18nCOCOCCCNNCCCCCCClClO/rB:s1;s2;d3;s3;s5;d6;s7;d5s8;s8;s10;d11;s12;d13;d10s14;s14;s12;s7;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8Cl2N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.9059
Area:467.998
Solvation:-2.79405
Coulombic:-42.5247
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.098
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.35
LogP (Chemaxon):2.64

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Descriptor Annotations

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