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Chemical ID: 6047024
Chemical ID:
6047024
Name [?]:
None
SMILES [?]:
CNc1nc2c3cccnc3ccc2n1C
InChi [?]:
InChI=1/C12H12N4/c1-13-12-15-11-8-4-3-7-14-9(8)5-6-10(11)16(12)2/h3-7H,1-2H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,16,8,7,12,13,9,6,11,14,5,3,2,10,4,15/rA:16nCNCNCCCCCNCCCCNC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;d5s13;s3s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.54656 |
Area: | 381.123 |
Solvation: | -1.98153 |
Coulombic: | -29.2638 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.251 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.86 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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