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Chemical ID: 6987655
Chemical ID:
6987655
Name [?]:
N-[(2-hydroxyphenyl)methyleneamino]-2-(2-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)NN=Cc2ccccc2O
InChi [?]:
InChI=1/C18H20N2O3/c1-13(2)15-8-4-6-10-17(15)23-12-18(22)20-19-11-14-7-3-5-9-16(14)21/h3-11,13,21H,12H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,19,6,20,7,18,5,21,8,16,11,2,17,4,22,9,12,15,14,23,13,10/E:(1,2)/rA:23nCCCCCCCCCOCCONNCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.7238 |
Area: | 543.188 |
Solvation: | -6.8559 |
Coulombic: | -41.8598 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.363 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.46 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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