Chemical ID: 3998896

CC(=O)c1cc2c3ccccc3ccc2o1
Chemical ID:
3998896
Name [?]:
None
SMILES [?]:
CC(=O)c1cc2c3ccccc3ccc2o1
InChi [?]:
InChI=1/C14H10O2/c1-9(15)14-8-12-11-5-3-2-4-10(11)6-7-13(12)16-14/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,13,14,5,2,12,7,6,15,4,3,16/rA:16nCCOCCCCCCCCCCCCO/rB:s1;d2;s2;d4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;d6s14;s4s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.51747
Area:379.663
Solvation:-1.9741
Coulombic:-17.795
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:210.228
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.18
LogP (Chemaxon):2.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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