Chemical ID: 4291123

Cc1ccc2c(c1)c(=O)cc(o2)c3ccccc3
Chemical ID:
4291123
Name [?]:
6-methyl-2-phenyl-chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)c(=O)cc(o2)c3ccccc3
InChi [?]:
InChI=1/C16H12O2/c1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,3,4,7,10,2,13,6,8,5,11,9,12/E:(3,4)(5,6)/rA:18nCCCCCCCCOCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.41302
Area:416.198
Solvation:-1.99193
Coulombic:-18.4934
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:236.265
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.07
LogP (Chemaxon):4.09

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Descriptor Annotations

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