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Chemical ID: 4130827
Chemical ID:
4130827
Name [?]:
N'-[(4-chlorophenyl)methyleneamino]-N-(1-naphthyl)oxamide
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)C(=O)NN=Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H14ClN3O2/c20-15-10-8-13(9-11-15)12-21-23-19(25)18(24)22-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,20,24,21,23,18,19,5,22,4,10,12,14,25,17,11,16,13,15/E:(8,9)(10,11)/rA:25nCCCCCCCCCCNCOCONNCCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1404 |
Area: | 558.113 |
Solvation: | -2.8124 |
Coulombic: | -46.8535 |
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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