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Chemical ID: 7628089
Chemical ID:
7628089
Name [?]:
None
SMILES [?]:
CC12CC[N+](C1N(c3c2cc(cc3)OC(=O)NC)C)(C)C
InChi [?]:
InChI=1/C16H23N3O2/c1-16-8-9-19(4,5)14(16)18(3)13-7-6-11(10-12(13)16)21-15(20)17-2/h6-7,10,14H,8-9H2,1-5H3/p+1
InChi Info:
AuxInfo=1/5/N:1,18,19,20,21,12,13,3,4,10,11,9,8,6,15,2,17,7,5,16,14/E:(4,5)/CRV:19+1,20-1/rA:21cCCCCN+CNCCCCCCOCONCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s2s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s7;s5;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N3O2+ |
All Atoms: | 45 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -16.7589 |
Area: | 460.383 |
Solvation: | -28.2684 |
Coulombic: | -14.9442 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.47 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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