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Chemical ID: 6472811
Chemical ID:
6472811
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CC(=O)Cc3c2cccc3
InChi [?]:
InChI=1/C15H12O/c16-13-9-11-5-1-3-7-14(11)15-8-4-2-6-12(15)10-13/h1-8H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,15,2,14,6,16,3,13,7,10,5,11,8,4,12,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:16nCCCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s4s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.4234 |
Area: | 369.363 |
Solvation: | -1.81067 |
Coulombic: | -9.70501 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 208.255 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.16 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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