Chemical ID: 5277691

CCc1nc2c3cnn(c3ncn2n1)c4ccc(c(c4)Cl)C
Chemical ID:
5277691
Name [?]:
None
SMILES [?]:
CCc1nc2c3cnn(c3ncn2n1)c4ccc(c(c4)Cl)C
InChi [?]:
InChI=1/C15H13ClN6/c1-3-13-19-15-11-7-18-22(14(11)17-8-21(15)20-13)10-5-4-9(2)12(16)6-10/h4-8H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,17,16,20,7,12,18,15,6,19,3,10,5,21,11,8,4,14,13,9/rA:22nCCCNCCCNNCNCNNCCCCCCClC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d6s9;s10;d11;s5s12;d3s13;s9;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN6
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5629
Area:500.976
Solvation:-1.96155
Coulombic:-22.4148
Bond Count [?]
All:25
Single:17
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:312.757
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.85
LogP (Chemaxon):4.43

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Experimental Annotations

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Descriptor Annotations

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