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Chemical ID: 7645743
Chemical ID:
7645743
Name [?]:
None
SMILES [?]:
C1CC2CN3C(CC=CC3=O)C4C2[N+](C1)(CCC4)[O-]
InChi [?]:
InChI=1/C15H22N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h1,7,11-13,15H,2-6,8-10H2
InChi Info:
AuxInfo=1/0/N:8,1,17,2,18,7,9,15,16,4,3,12,6,10,13,5,14,11,19/CRV:17+1,19-1/rA:19cCCCCNCCCCCOCCN+CCCCO-/rB:s1;s2;s3;s4;s5;s6;s7;d8;s5s9;d10;s6;s3s12;s13;s1s14;s14;s16;s12s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O2 |
All Atoms: | 41 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -2.48962 |
Area: | 391.751 |
Solvation: | -12.2834 |
Coulombic: | -47.4055 |
Bond Count [?]
All: | 22 |
Single: | 20 |
Double: | 2 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.49 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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