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Chemical ID: 7479212
Chemical ID:
7479212
Name [?]:
4-benzyloxy-N-[(4-hydroxyphenyl)methyleneamino]benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3ccc(cc3)O
InChi [?]:
InChI=1/C21H18N2O3/c24-19-10-6-16(7-11-19)14-22-23-21(25)18-8-12-20(13-9-18)26-15-17-4-2-1-3-5-17/h1-14,24H,15H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,25,11,13,22,24,10,14,19,7,20,4,12,23,9,15,18,17,26,16,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCCCOCCCCCCCONNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18N2O3 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.36539 |
Area: | 599.051 |
Solvation: | -5.61089 |
Coulombic: | -44.867 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 346.379 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.21 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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