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Chemical ID: 6401004
Chemical ID:
6401004
Name [?]:
N-[(4-benzyloxyphenyl)methyleneamino]-4-hydroxy-benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C=NNC(=O)c3ccc(cc3)O
InChi [?]:
InChI=1/C21H18N2O3/c24-19-10-8-18(9-11-19)21(25)23-22-14-16-6-12-20(13-7-16)26-15-17-4-2-1-3-5-17/h1-14,24H,15H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,13,21,25,22,24,10,14,15,7,12,4,20,23,9,18,16,17,26,19,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCCCOCCCCCCCNNCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0373 |
Area: | 581.386 |
Solvation: | -5.49736 |
Coulombic: | -44.838 |
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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