Chemical ID: 5272355

c1ccc(cc1)c2ccc(cc2)C=C3C(=O)c4ccc(cc4O3)O
Chemical ID:
5272355
Name [?]:
6-hydroxy-2-[(4-phenylphenyl)methylene]benzofuran-3-one
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C=C3C(=O)c4ccc(cc4O3)O
InChi [?]:
InChI=1/C21H14O3/c22-17-10-11-18-19(13-17)24-20(21(18)23)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-13,22H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,11,8,12,19,18,13,21,10,4,7,20,17,22,14,15,24,16,23/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCCCCCCCCCCCCCCCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.54609
Area:510.52
Solvation:-3.2169
Coulombic:-36.0948
Bond Count [?]
All:27
Single:16
Double:11
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:314.334
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.17
LogP (Chemaxon):4.73

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Descriptor Annotations

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