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Chemical ID: 4164926
Chemical ID:
4164926
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCc3ccccc3C2=CCO
InChi [?]:
InChI=1/C17H16O/c18-12-11-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8,11,18H,9-10,12H2
InChi Info:
AuxInfo=1/0/N:1,11,2,12,6,10,3,13,7,8,16,17,5,9,4,14,15,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:18nCCCCCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s4s14;d15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.04608 |
Area: | 410.984 |
Solvation: | -2.22852 |
Coulombic: | -20.1517 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 236.308 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.99 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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