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Chemical ID: 5773840
Chemical ID:
5773840
Name [?]:
4-(5-chloro-2,4-dimethoxy-phenyl)imino-2-hydroxy-naphthalen-1-one
SMILES [?]:
COc1cc(c(cc1N=C2C=C(C(=O)c3c2cccc3)O)Cl)OC
InChi [?]:
InChI=1/C18H14ClNO4/c1-23-16-9-17(24-2)14(7-12(16)19)20-13-8-15(21)18(22)11-6-4-3-5-10(11)13/h3-9,21H,1-2H3
InChi Info:
AuxInfo=1/0/N:24,1,18,19,17,20,7,11,4,16,15,6,10,8,12,5,3,13,22,9,21,14,23,2/rA:24nCOCCCCCCNCCCCOCCCCCCOClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s12;d13;s13;s10s15;d16;s17;d18;d15s19;s12;s6;s5;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClNO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.65098 |
Area: | 524.153 |
Solvation: | -6.45285 |
Coulombic: | -44.0594 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 343.761 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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