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Chemical ID: 5628167
Chemical ID:
5628167
Name [?]:
7-methoxy-2-phenylimino-chromene-3-carboxamide
SMILES [?]:
COc1ccc2cc(c(=Nc3ccccc3)oc2c1)C(=O)N
InChi [?]:
InChI=1/C17H14N2O3/c1-21-13-8-7-11-9-14(16(18)20)17(22-15(11)10-13)19-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,20)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,5,4,7,19,6,11,3,8,18,20,9,22,10,21,2,17/E:(3,4)(5,6)/rA:22nCOCCCCCCCNCCCCCCOCCCON/rB:s1;s2;s3;d4;s5;s6;d7;s8;w9;s10;s11;d12;s13;d14;d11s15;s9;d6s17;d3s18;s8;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.12486 |
Area: | 449.203 |
Solvation: | -4.10522 |
Coulombic: | -47.6091 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.305 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.15 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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