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Chemical ID: 7968694
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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