Chemical ID: 4917125

c1ccc2c(c1)C3CC2C(=O)c4c3cccc4
Chemical ID:
4917125
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3CC2C(=O)c4c3cccc4
InChi [?]:
InChI=1/C16H12O/c17-16-13-8-4-3-7-12(13)14-9-15(16)11-6-2-1-5-10(11)14/h1-8,14-15H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,15,16,6,3,14,17,8,5,4,13,12,7,9,10,11/rA:17cCCCCCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;d10;s10;s7s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:7.62606
Area:374.092
Solvation:-1.72625
Coulombic:-10.8674
Bond Count [?]
All:20
Single:13
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:220.266
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.07
LogP (Chemaxon):3.23

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Descriptor Annotations

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