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Chemical ID: 7679350
Chemical ID:
7679350
Name [?]:
None
SMILES [?]:
CCCn1cc(c2c1cccc2)CCC(=O)O
InChi [?]:
InChI=1/C14H17NO2/c1-2-9-15-10-11(7-8-14(16)17)12-5-3-4-6-13(12)15/h3-6,10H,2,7-9H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,9,13,14,3,5,6,7,8,15,4,16,17/E:(16,17)/rA:17nCCCNCCCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;s4s7;d8;s9;d10;d7s11;s6;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO2 |
All Atoms: | 34 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.64248 |
Area: | 436.709 |
Solvation: | -2.27524 |
Coulombic: | -32.6204 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.77 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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