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Chemical ID: 6715134
Chemical ID:
6715134
Name [?]:
2-(4-cyanophenyl)imino-8-methoxy-chromene-3-carboxamide
SMILES [?]:
COc1cccc2c1oc(=Nc3ccc(cc3)C#N)c(c2)C(=O)N
InChi [?]:
InChI=1/C18H13N3O3/c1-23-15-4-2-3-12-9-14(17(20)22)18(24-16(12)15)21-13-7-5-11(10-19)6-8-13/h2-9H,1H3,(H2,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,14,16,13,17,21,18,15,7,12,20,3,8,22,10,19,24,11,23,2,9/E:(5,6)(7,8)/rA:24nCOCCCCCCOCNCCCCCCCNCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;w10;s11;s12;d13;s14;d15;d12s16;s15;t18;s10;s7d20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.336 |
Area: | 496.936 |
Solvation: | -5.08741 |
Coulombic: | -50.634 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 319.314 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.87 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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