Chemical ID: 6427249

CC(=O)CCC(=O)c1ccc2ccccc2c1
Chemical ID:
6427249
Name [?]:
1-(2-naphthyl)pentane-1,4-dione
SMILES [?]:
CC(=O)CCC(=O)c1ccc2ccccc2c1
InChi [?]:
InChI=1/C15H14O2/c1-11(16)6-9-15(17)14-8-7-12-4-2-3-5-13(12)10-14/h2-5,7-8,10H,6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,4,10,9,5,17,2,11,16,8,6,3,7/rA:17nCCOCCCOCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.88136
Area:426.422
Solvation:-2.77918
Coulombic:-15.8677
Bond Count [?]
All:18
Single:11
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:226.27
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.76
LogP (Chemaxon):2.7

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Descriptor Annotations

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