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Chemical ID: 4624229
Chemical ID:
4624229
Name [?]:
methyl 2-amino-3,4,5-trimethoxy-benzoate
SMILES [?]:
COc1cc(c(c(c1OC)OC)N)C(=O)OC
InChi [?]:
InChI=1/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,10,12,17,4,5,3,6,8,7,14,13,15,2,9,11,16/rA:17nCOCCCCCCOCOCNCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s6;s5;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO5 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.35221 |
Area: | 411.111 |
Solvation: | -4.92557 |
Coulombic: | -58.0203 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 241.241 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.91 |
LogP (Chemaxon): | 0.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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