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Chemical ID: 7047193
Chemical ID:
7047193
Name [?]:
N-(5-chloro-2-phenoxy-phenyl)-7-methoxy-2-oxo-chromene-3-carboxamide
SMILES [?]:
COc1ccc2cc(c(=O)oc2c1)C(=O)Nc3cc(ccc3Oc4ccccc4)Cl
InChi [?]:
InChI=1/C23H16ClNO5/c1-28-17-9-7-14-11-18(23(27)30-21(14)13-17)22(26)25-19-12-15(24)8-10-20(19)29-16-5-3-2-4-6-16/h2-13H,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,26,28,25,29,5,20,4,21,7,18,13,6,19,24,3,8,17,22,12,14,9,30,16,15,10,2,23,11/E:(3,4)(5,6)/rA:30nCOCCCCCCCOOCCCONCCCCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;d3s12;s8;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s23;s24;d25;s26;d27;d24s28;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16ClNO5 |
All Atoms: | 46 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2108 |
Area: | 632.159 |
Solvation: | -5.59318 |
Coulombic: | -55.3776 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 421.83 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.68 |
LogP (Chemaxon): | 4.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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