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Chemical ID: 6402504
Chemical ID:
6402504
Name [?]:
N-[(3-benzyloxyphenyl)methyleneamino]benzamide
SMILES [?]:
c1ccc(cc1)COc2cccc(c2)C=NNC(=O)c3ccccc3
InChi [?]:
InChI=1/C21H18N2O2/c24-21(19-11-5-2-6-12-19)23-22-15-18-10-7-13-20(14-18)25-16-17-8-3-1-4-9-17/h1-15H,16H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,2,6,22,24,11,3,5,12,21,25,10,14,15,7,4,13,20,9,18,16,17,19,8/E:(3,4)(5,6)(8,9)(11,12)/rA:25nCCCCCCCOCCCCCCCNNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;w15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66106 |
Area: | 563.536 |
Solvation: | -4.42734 |
Coulombic: | -30.2743 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 330.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.62 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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