Chemical ID: 5574126

c1ccc2ccc(=O)ccc(c1)C2
Chemical ID:
5574126
Name [?]:
bicyclo[5.4.1]dodeca-2,5,7,9,11-pentaen-4-one
SMILES [?]:
c1ccc2ccc(=O)ccc(c1)C2
InChi [?]:
InChI=1/C12H10O/c13-12-7-5-10-3-1-2-4-11(9-10)6-8-12/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,12,3,10,5,9,6,13,11,4,7,8/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:13nCCCCCCCOCCCCC/rB:d1;s2;d3;s4;w5;s6;d7;s7;w9;s10;s1d11;s4s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.18573
Area:312.102
Solvation:-1.61682
Coulombic:-10.6418
Bond Count [?]
All:14
Single:8
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:170.207
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.02
LogP (Chemaxon):2.99

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Descriptor Annotations

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