Chemical ID: 6047024

CNc1nc2c3cccnc3ccc2n1C
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

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Experimental Annotations

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Descriptor Annotations

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