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Chemical ID: 5003436
Chemical ID:
5003436
Name [?]:
None
SMILES [?]:
Cc1cccc2c1nc3c(c2N)CCC3
InChi [?]:
InChI=1/C13H14N2/c1-8-4-2-6-10-12(14)9-5-3-7-11(9)15-13(8)10/h2,4,6H,3,5,7H2,1H3,(H2,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,14,3,13,5,15,2,10,6,9,11,7,12,8/rA:15nCCCCCCCNCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;s10;s13;s9s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.68051 |
Area: | 358.127 |
Solvation: | -1.27267 |
Coulombic: | -22.3576 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 198.264 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.88 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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