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Chemical ID: 6666942
Chemical ID:
6666942
Name [?]:
1-sec-butoxynaphthalene
SMILES [?]:
CCC(C)Oc1cccc2c1cccc2
InChi [?]:
InChI=1/C14H16O/c1-3-11(2)15-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,14,13,8,15,9,12,7,3,10,11,6,5/rA:15cCCCCOCCCCCCCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s8;d9;d6s10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.80885 |
Area: | 380.279 |
Solvation: | -1.69813 |
Coulombic: | -10.6518 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 200.276 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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