Chemical ID: 6382704

CC(=O)c1cc2ccc3ccccc3c2oc1=O
Chemical ID:
6382704
Name [?]:
None
SMILES [?]:
CC(=O)c1cc2ccc3ccccc3c2oc1=O
InChi [?]:
InChI=1/C15H10O3/c1-9(16)13-8-11-7-6-10-4-2-3-5-12(10)14(11)18-15(13)17/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,8,7,5,2,9,6,14,4,15,17,3,18,16/rA:18nCCOCCCCCCCCCCCCOCO/rB:s1;d2;s2;d4;s5;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s4s16;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.11804
Area:402.909
Solvation:-3.95468
Coulombic:-26.1677
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:238.238
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.8
LogP (Chemaxon):2.42

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