Chemical ID: 5100938

COc1cccc2c1C3c4ccccc4C(=O)CC3CC2=O
Chemical ID:
5100938
Name [?]:
None
SMILES [?]:
COc1cccc2c1C3c4ccccc4C(=O)CC3CC2=O
InChi [?]:
InChI=1/C19H16O3/c1-22-17-8-4-7-14-16(21)10-11-9-15(20)12-5-2-3-6-13(12)18(11)19(14)17/h2-8,11,18H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,5,14,11,6,4,18,20,19,15,10,7,16,21,3,9,8,17,22,2/rA:22cCOCCCCCCCCCCCCCCOCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s9s18;s19;s7s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:7.31767
Area:442.173
Solvation:-3.73666
Coulombic:-23.976
Bond Count [?]
All:25
Single:17
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:292.329
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.64
LogP (Chemaxon):2.21

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