Chemical ID: 7221547

CCn1cc(c(n1)c2nc3c4ccccc4ncn3n2)Cl
Chemical ID:
7221547
Name [?]:
None
SMILES [?]:
CCn1cc(c(n1)c2nc3c4ccccc4ncn3n2)Cl
InChi [?]:
InChI=1/C14H11ClN6/c1-2-20-7-10(15)12(18-20)13-17-14-9-5-3-4-6-11(9)16-8-21(14)19-13/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,14,12,15,4,18,11,5,16,6,8,10,21,17,9,7,20,3,19/rA:21nCCNCCCNCNCCCCCCCNCNNCl/rB:s1;s2;s3;d4;s5;s3d6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s18;d8s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11ClN6
All Atoms:32
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.87982
Area:476.776
Solvation:-2.03959
Coulombic:-23.8689
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:298.73
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.68
LogP (Chemaxon):3.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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