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Chemical ID: 5052752
Chemical ID:
5052752
Name [?]:
None
SMILES [?]:
CCCCCN1C(=O)C2C3CC(C2C1=O)C=C3
InChi [?]:
InChI=1/C14H19NO2/c1-2-3-4-7-15-13(16)11-9-5-6-10(8-9)12(11)14(15)17/h5-6,9-12H,2-4,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,16,17,5,11,12,10,13,9,14,7,6,15,8/E:(5,6)(9,10)(11,12)(13,14)(16,17)/rA:17cCCCCCNCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s6s13;d14;s12;s10d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 8.33183 |
Area: | 418.431 |
Solvation: | -2.12893 |
Coulombic: | -25.7744 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.06 |
LogP (Chemaxon): | 1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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