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Chemical ID: 4378441
Chemical ID:
4378441
Name [?]:
N-(3-chloro-4-methyl-phenyl)-N'-cyclopropyl-oxamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)C(=O)NC2CC2
InChi [?]:
InChI=1/C12H13ClN2O2/c1-7-2-3-9(6-10(7)13)15-12(17)11(16)14-8-4-5-8/h2-3,6,8H,4-5H2,1H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,17,6,2,15,5,7,12,10,8,14,9,13,11/E:(4,5)/rA:17nCCCCCCCClNCOCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s12;s14;s15;s15s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13ClN2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.5509 |
Area: | 447.059 |
Solvation: | -1.62558 |
Coulombic: | -47.1019 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 252.697 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.85 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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