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Chemical ID: 4716376
Chemical ID:
4716376
Name [?]:
7-fluoro-3-phenyl-indan-1-one
SMILES [?]:
c1ccc(cc1)C2CC(=O)c3c2cccc3F
InChi [?]:
InChI=1/C15H11FO/c16-13-8-4-7-11-12(9-14(17)15(11)13)10-5-2-1-3-6-10/h1-8,12H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,15,8,4,12,7,16,9,11,17,10/E:(2,3)(5,6)/rA:17cCCCCCCCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s7s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11FO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.42017 |
Area: | 385.385 |
Solvation: | -3.21446 |
Coulombic: | -12.8861 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 226.246 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.19 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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