Chemical ID: 6154700

c1ccc2c(c1)cccc2C=C3C(=O)c4ccc(cc4O3)O
Chemical ID:
6154700
Name [?]:
6-hydroxy-2-(1-naphthylmethylene)benzofuran-3-one
SMILES [?]:
c1ccc2c(c1)cccc2C=C3C(=O)c4ccc(cc4O3)O
InChi [?]:
InChI=1/C19H12O3/c20-14-8-9-16-17(11-14)22-18(19(16)21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11,20H
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,9,3,17,16,11,19,5,10,18,4,15,20,12,13,22,14,21/rA:22nCCCCCCCCCCCCCOCCCCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.5287
Area:464.248
Solvation:-3.07749
Coulombic:-35.3919
Bond Count [?]
All:25
Single:15
Double:10
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:288.297
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.49
LogP (Chemaxon):4.05

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Descriptor Annotations

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