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Chemical ID: 7559482
Chemical ID:
7559482
Name [?]:
None
SMILES [?]:
C1C2CNCC1C3=CC=CC(=O)[NH+]3C2
InChi [?]:
InChI=1/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/p+1
InChi Info:
AuxInfo=1/1/N:9,8,10,1,3,5,14,2,6,7,11,4,13,12/rA:14cCCCNCCCCCCCON+C/rB:s1;s2;s3;s4;s1s5;s6;d7;s8;d9;s10;d11;s7s11;s2s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N2O+ |
All Atoms: | 29 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -21.9873 |
Area: | 327.927 |
Solvation: | -30.1855 |
Coulombic: | 18.2779 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.55 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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