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Chemical ID: 5381421
Chemical ID:
5381421
Name [?]:
(2-isopropyl-5-methyl-cyclohexoxy)carbonylmethyl 2-amino-5-hydroxy-benzoate
SMILES [?]:
CC1CCC(C(C1)OC(=O)COC(=O)c2cc(ccc2N)O)C(C)C
InChi [?]:
InChI=1/C19H27NO5/c1-11(2)14-6-4-12(3)8-17(14)25-18(22)10-24-19(23)15-9-13(21)5-7-16(15)20/h5,7,9,11-12,14,17,21H,4,6,8,10,20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:24,25,1,3,18,4,19,7,16,11,23,2,17,5,15,20,6,9,13,21,22,10,14,12,8/E:(1,2)/rA:25cCCCCCCCOCOCOCOCCCCCCNOCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s17;s5;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27NO5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.0671 |
Area: | 579.337 |
Solvation: | -3.41637 |
Coulombic: | -73.001 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 349.421 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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