Chemical ID: 7479212

c1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3ccc(cc3)O
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

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