Chemical ID: 4529553

c1ccc2c(c1)cccc2OC(=O)c3ccc(o3)c4ccc(cc4)Cl
Chemical ID:
4529553
Name [?]:
1-naphthyl 5-(4-chlorophenyl)furan-2-carboxylate
SMILES [?]:
c1ccc2c(c1)cccc2OC(=O)c3ccc(o3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H13ClO3/c22-16-10-8-15(9-11-16)18-12-13-20(24-18)21(23)25-19-7-3-5-14-4-1-2-6-17(14)19/h1-13H
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,3,9,20,24,21,23,16,15,5,19,22,4,17,10,14,12,25,13,18,11/E:(8,9)(10,11)/rA:25nCCCCCCCCCCOCOCCCCOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H13ClO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.2702
Area:553.953
Solvation:-2.57859
Coulombic:-32.5503
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:348.779
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.06
LogP (Chemaxon):5.19

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Descriptor Annotations

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