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Chemical ID: 6631370
Chemical ID:
6631370
Name [?]:
N-(3-chloro-2-methyl-phenyl)-N'-(1-naphthylmethyleneamino)oxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2cccc3c2cccc3
InChi [?]:
InChI=1/C20H16ClN3O2/c1-13-17(21)10-5-11-18(13)23-19(25)20(26)24-22-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-12H,1H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,25,24,19,5,26,20,18,23,6,4,16,2,21,17,22,7,3,10,12,8,15,9,14,11,13/rA:26nCCCCCCCClNCOCONNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16ClN3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5708 |
Area: | 571.301 |
Solvation: | -2.71171 |
Coulombic: | -46.7293 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.813 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.14 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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