Chemical ID: 5773840

COc1cc(c(cc1N=C2C=C(C(=O)c3c2cccc3)O)Cl)OC
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

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Descriptor Annotations

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