Chemical ID: 5010241

c1ccc2c(c1)ccc3c2C(=O)CC3
Chemical ID:
5010241
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2C(=O)CC3
InChi [?]:
InChI=1/C13H10O/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)12/h1-6H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,14,13,5,9,4,11,10,12/rA:14nCCCCCCCCCCCOCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.67607
Area:336.397
Solvation:-1.73387
Coulombic:-9.49508
Bond Count [?]
All:16
Single:10
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:182.218
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.8
LogP (Chemaxon):2.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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