Chemical ID: 6919398

COc1cc(ccc1OC(=O)Nc2ccccc2)C=O
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

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