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Chemical ID: 6919398
Chemical ID:
6919398
Name [?]:
(4-formyl-2-methoxy-phenyl) anilinoformate
SMILES [?]:
COc1cc(ccc1OC(=O)Nc2ccccc2)C=O
InChi [?]:
InChI=1/C15H13NO4/c1-19-14-9-11(10-17)7-8-13(14)20-15(18)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,6,7,4,19,5,13,8,3,10,12,20,11,2,9/E:(3,4)(5,6)/rA:20nCOCCCCCCOCONCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s5;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13NO4 |
All Atoms: | 33 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.05313 |
Area: | 466.674 |
Solvation: | -4.61372 |
Coulombic: | -48.0172 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 271.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.36 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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