Chemical ID: 5277533

CCCc1nc2c3cnn(c3ncn2n1)c4cccc(c4)Cl
Chemical ID:
5277533
Name [?]:
None
SMILES [?]:
CCCc1nc2c3cnn(c3ncn2n1)c4cccc(c4)Cl
InChi [?]:
InChI=1/C15H13ClN6/c1-2-4-13-19-15-12-8-18-22(11-6-3-5-10(16)7-11)14(12)17-9-21(15)20-13/h3,5-9H,2,4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,3,19,17,21,8,13,20,16,7,4,11,6,22,12,9,5,15,14,10/rA:22nCCCCNCCCNNCNCNNCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d7s10;s11;d12;s6s13;d4s14;s10;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN6
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.7635
Area:509.5
Solvation:-1.97402
Coulombic:-22.8745
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:312.757
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.19
LogP (Chemaxon):4.35

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Descriptor Annotations

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