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Chemical ID: 4639105
Chemical ID:
4639105
Name [?]:
methyl 2-benzamidoacetate
SMILES [?]:
COC(=O)CNC(=O)c1ccccc1
InChi [?]:
InChI=1/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,10,14,5,9,3,7,6,4,8,2/E:(3,4)(5,6)/rA:14nCOCOCNCOCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16027 |
Area: | 380.916 |
Solvation: | -2.36263 |
Coulombic: | -41.7645 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 193.199 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.13 |
LogP (Chemaxon): | 0.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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