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Chemical ID: 4286869
Chemical ID:
4286869
Name [?]:
N'-(3-chlorophenyl)-N-(1-naphthylmethyleneamino)oxamide
SMILES [?]:
c1ccc2c(c1)cccc2C=NNC(=O)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C19H14ClN3O2/c20-15-8-4-9-16(11-15)22-18(24)19(25)23-21-12-14-7-3-6-13-5-1-2-10-17(13)14/h1-12H,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,8,21,6,7,9,22,20,3,24,11,5,10,23,19,4,16,14,25,12,18,13,17,15/rA:25nCCCCCCCCCCCNNCOCONCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2279 |
Area: | 562.35 |
Solvation: | -2.83083 |
Coulombic: | -46.7332 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.786 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.91 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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