Chemical ID: 7435139

c1ccc2cc(ccc2c1)OC(=O)c3cc4ccccc4oc3=O
Chemical ID:
7435139
Name [?]:
2-naphthyl 2-oxochromene-3-carboxylate
SMILES [?]:
c1ccc2cc(ccc2c1)OC(=O)c3cc4ccccc4oc3=O
InChi [?]:
InChI=1/C20H12O4/c21-19(17-12-15-7-3-4-8-18(15)24-20(17)22)23-16-10-9-13-5-1-2-6-14(13)11-16/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,18,19,10,3,17,20,8,7,5,15,9,4,16,6,14,21,12,23,13,24,11,22/rA:24nCCCCCCCCCCOCOCCCCCCCCOCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;d14;s15;s16;d17;s18;d19;d16s20;s21;s14s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12O4
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.41247
Area:507.459
Solvation:-3.274
Coulombic:-39.8832
Bond Count [?]
All:27
Single:16
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:316.307
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.46
LogP (Chemaxon):4.34

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Descriptor Annotations

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