Chemical ID: 5185159

Cc1cc2cc3n(c2nn1)N=CCC3
Chemical ID:
5185159
Name [?]:
None
SMILES [?]:
Cc1cc2cc3n(c2nn1)N=CCC3
InChi [?]:
InChI=1/C10H10N4/c1-7-5-8-6-9-3-2-4-11-14(9)10(8)13-12-7/h4-6H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,3,5,2,4,6,8,11,10,9,7/rA:14nCCCCCCNCNNNCCC/rB:s1;s2;d3;s4;d5;s6;s4s7;d8;d2s9;s7;d11;s12;s6s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.77922
Area:341.901
Solvation:-2.7683
Coulombic:-6.4314
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:186.213
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.37
LogP (Chemaxon):-0.07

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Experimental Annotations

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Descriptor Annotations

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