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Chemical ID: 5571940
Chemical ID:
5571940
Name [?]:
None
SMILES [?]:
CC1=NCCNc2c1c(=O)n(c3c2cccc3)C
InChi [?]:
InChI=1/C14H15N3O/c1-9-12-13(16-8-7-15-9)10-5-3-4-6-11(10)17(2)14(12)18/h3-6,16H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,15,16,14,17,4,5,2,13,12,8,7,9,3,6,11,10/rA:18nCCNCCNCCCONCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s2d7;s8;d9;s9;s11;s7s12;d13;s14;d15;d12s16;s11;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.62046 |
Area: | 394.061 |
Solvation: | -2.23108 |
Coulombic: | -33.5558 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 241.289 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.11 |
LogP (Chemaxon): | 1.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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