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Chemical ID: 4555574
Chemical ID:
4555574
Name [?]:
None
SMILES [?]:
CCCC(=O)N1CC2CC(C1)c3cccc(=O)n3C2
InChi [?]:
InChI=1/C15H20N2O2/c1-2-4-14(18)16-8-11-7-12(10-16)13-5-3-6-15(19)17(13)9-11/h3,5-6,11-12H,2,4,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,3,13,15,9,7,19,11,8,10,12,4,16,6,18,5,17/rA:19cCCCCONCCCCCCCCCCONC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s13;d14;s15;d16;s12s16;s8s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.13677 |
Area: | 417.511 |
Solvation: | -3.30101 |
Coulombic: | -30.7494 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 260.332 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.6 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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