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Chemical ID: 5228240
Chemical ID:
5228240
Name [?]:
None
SMILES [?]:
Cc1cn(c2c1-c3c(cno3)CC2)C
InChi [?]:
InChI=1/C11H12N2O/c1-7-6-13(2)9-4-3-8-5-12-14-11(8)10(7)9/h5-6H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,12,13,9,3,2,8,5,6,7,10,4,11/rA:14nCCCNCCCCCNOCCC/rB:s1;d2;s3;s4;s2d5;s6;d7;s8;d9;s7s10;s8;s5s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.2967 |
Area: | 341.964 |
Solvation: | -2.2524 |
Coulombic: | -8.1696 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 188.226 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.69 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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