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Chemical ID: 5169076
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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