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Chemical ID: 6715124
Chemical ID:
6715124
Name [?]:
2-(4-cyanophenyl)imino-6-methoxy-chromene-3-carboxamide
SMILES [?]:
COc1ccc2c(c1)cc(c(=Nc3ccc(cc3)C#N)o2)C(=O)N
InChi [?]:
InChI=1/C18H13N3O3/c1-23-14-6-7-16-12(8-14)9-15(17(20)22)18(24-16)21-13-4-2-11(10-19)3-5-13/h2-9H,1H3,(H2,20,22)
InChi Info:
AuxInfo=1/1/N:1,15,17,14,18,4,5,8,9,19,16,7,13,3,10,6,22,11,20,24,12,23,2,21/E:(2,3)(4,5)/rA:24nCOCCCCCCCCCNCCCCCCCNOCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;t19;s6s11;s10;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.40919 |
Area: | 525.169 |
Solvation: | -4.72004 |
Coulombic: | -49.9024 |
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: | 1.88 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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