Chemical ID: 5169076

COC(=O)c1cccc(c1)OCC(=O)Nc2ccccc2
Chemical ID:
5169076
Name [?]:
methyl 3-(phenylcarbamoylmethoxy)benzoate
SMILES [?]:
COC(=O)c1cccc(c1)OCC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C16H15NO4/c1-20-16(19)12-6-5-9-14(10-12)21-11-15(18)17-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,7,6,17,21,8,10,12,5,16,9,13,3,15,14,4,2,11/E:(3,4)(7,8)/rA:21nCOCOCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.49164
Area:500.781
Solvation:-5.02788
Coulombic:-47.9594
Bond Count [?]
All:22
Single:14
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:285.295
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.61
LogP (Chemaxon):2.42

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Descriptor Annotations

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