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Chemical ID: 7693474
Chemical ID:
7693474
Name [?]:
None
SMILES [?]:
CCC(=O)NC(C)c1ccc2c(c1)CCCC2
InChi [?]:
InChI=1/C15H21NO/c1-3-15(17)16-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h8-11H,3-7H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,7,2,16,15,17,14,10,9,13,6,11,8,12,3,5,4/rA:17cCCCONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s6;s8;d9;s10;d11;d8s12;s12;s14;s15;s11s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO |
All Atoms: | 38 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.01046 |
Area: | 432.438 |
Solvation: | -1.8005 |
Coulombic: | -21.8923 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.66 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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