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Chemical ID: 7650287
Chemical ID:
7650287
Name [?]:
None
SMILES [?]:
c1cnc2cc3c(cc2n1)C4CC3CNC4
InChi [?]:
InChI=1/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,12,8,5,16,14,11,13,7,6,9,4,15,10,3/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)/rA:16cCCNCCCCCCNCCCCNC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;s11;s6s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13N3 |
All Atoms: | 29 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.02275 |
Area: | 358.98 |
Solvation: | -1.95176 |
Coulombic: | -18.751 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.85 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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