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Chemical ID: 5126568
Chemical ID:
5126568
Name [?]:
methyl 2-(2-aminobenzoyl)aminoacetate
SMILES [?]:
COC(=O)CNC(=O)c1ccccc1N
InChi [?]:
InChI=1/C10H12N2O3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6,11H2,1H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,11,12,10,13,5,9,14,3,7,15,6,4,8,2/rA:15nCOCOCNCOCCCCCCN/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N2O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.28432 |
Area: | 393.58 |
Solvation: | -2.55519 |
Coulombic: | -57.605 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 208.214 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.74 |
LogP (Chemaxon): | 0.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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