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Chemical ID: 4672747
Chemical ID:
4672747
Name [?]:
2-methyl-5-[(5-methyl-2-furyl)methyl]-3-phenyl-furan
SMILES [?]:
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
InChi [?]:
InChI=1/C17H16O2/c1-12-8-9-15(18-12)10-16-11-17(13(2)19-16)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,17,16,18,15,19,3,4,7,9,2,11,14,5,8,10,6,12/E:(4,5)(6,7)/rA:19nCCCCCOCCCCCOCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d10;s8s11;s11;s10;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85212 |
Area: | 462.027 |
Solvation: | -2.69856 |
Coulombic: | -14.7535 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 252.308 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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