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Chemical ID: 6320841
Chemical ID:
6320841
Name [?]:
methyl 2-(2-phenylacetyl)aminobenzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)Cc2ccccc2
InChi [?]:
InChI=1/C16H15NO3/c1-20-16(19)13-9-5-6-10-14(13)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,7,8,16,20,6,9,14,15,5,10,12,3,11,13,4,2/E:(3,4)(7,8)/rA:20nCOCOCCCCCCNCOCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85624 |
Area: | 467.967 |
Solvation: | -2.84294 |
Coulombic: | -41.6211 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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