Chemical ID: 7222150

CC(c1nc2c3ccccc3ncn2n1)n4cc(cn4)Cl
Chemical ID:
7222150
Name [?]:
None
SMILES [?]:
CC(c1nc2c3ccccc3ncn2n1)n4cc(cn4)Cl
InChi [?]:
InChI=1/C14H11ClN6/c1-9(20-7-10(15)6-17-20)13-18-14-11-4-2-3-5-12(11)16-8-21(14)19-13/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,19,17,13,2,18,6,11,3,5,21,12,20,4,15,16,14/rA:21cCCCNCCCCCCCNCNNNCCCNCl/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s5s13;d3s14;s2;s16;d17;s18;s16d19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11ClN6
All Atoms:32
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.64429
Area:481.789
Solvation:-2.40042
Coulombic:-22.6916
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:2.64
LogP (Chemaxon):3.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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