Chemical ID: 7968694

c1cc(ccc1c2cc(no2)C(=O)NN)Cl
Chemical ID:
7968694
Name [?]:
5-(4-chlorophenyl)isoxazole-3-carbohydrazide
SMILES [?]:
c1cc(ccc1c2cc(no2)C(=O)NN)Cl
InChi [?]:
InChI=1/C10H8ClN3O2/c11-7-3-1-6(2-4-7)9-5-8(14-16-9)10(15)13-12/h1-5H,12H2,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,6,3,9,7,12,16,15,14,10,13,11/E:(1,2)(3,4)/rA:16nCCCCCCCCCNOCONNCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s9;d12;s12;s14;s3;/rC:-.0169,1.3915,.0097;1.1697,2.0946,.0021;2.3782,1.4186,-.0135;2.4033,.034,-.0212;1.2232,-.6799,-.0137;.0021,-.0041,.002;-1.2663,-.7635,.0105;-2.5315,-.2453,.0203;-3.3674,-1.392,.0244;-2.5677,-2.4306,.0171;-1.4048,-2.1009,.0043;-4.8507,-1.4115,.0353;-5.4719,-.3675,.0418;-5.5091,-2.5875,.0381;-6.875,-2.6055,.0481;3.8677,2.3103,-.0241;

Chemical Details

Atom Count
Formula:C25H22N2O4S
All Atoms:24
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.5688
Area:418.718
Solvation:-2.89915
Coulombic:-33.9046
Bond Count [?]
All:25
Single:19
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.642
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.64
LogP (Chemaxon):1.56

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Descriptor Annotations

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