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Chemical ID: 6410322
Chemical ID:
6410322
Name [?]:
4-benzyloxy-N-[(2-chlorophenyl)methyleneamino]benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3ccccc3Cl
InChi [?]:
InChI=1/C21H17ClN2O2/c22-20-9-5-4-8-18(20)14-23-24-21(25)17-10-12-19(13-11-17)26-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,23,3,5,21,24,11,13,10,14,19,7,4,12,20,9,25,15,26,18,17,16,8/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCCOCCCCCCCONNCCCCCCCCl/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17ClN2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5289 |
Area: | 593.543 |
Solvation: | -4.30967 |
Coulombic: | -30.3245 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.825 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.24 |
LogP (Chemaxon): | 5.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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