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Chemical ID: 6712366
Chemical ID:
6712366
Name [?]:
8-methoxy-2-(1-naphthylimino)chromene-3-carboxamide
SMILES [?]:
COc1cccc2c1oc(=Nc3cccc4c3cccc4)c(c2)C(=O)N
InChi [?]:
InChI=1/C21H16N2O3/c1-25-18-11-5-8-14-12-16(20(22)24)21(26-19(14)18)23-17-10-4-7-13-6-2-3-9-15(13)17/h2-12H,1H3,(H2,22,24)
InChi Info:
AuxInfo=1/1/N:1,20,19,14,5,21,15,6,18,13,4,23,16,7,17,22,12,3,8,24,10,26,11,25,2,9/rA:26nCOCCCCCCOCNCCCCCCCCCCCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s10;s7d22;s22;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57422 |
Area: | 515.534 |
Solvation: | -5.31412 |
Coulombic: | -48.3892 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 344.363 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.42 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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