Chemical ID: 4716376

c1ccc(cc1)C2CC(=O)c3c2cccc3F
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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