Chemical ID: 3965382

Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl
Chemical ID:
3965382
Name [?]:
None
SMILES [?]:
Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl
InChi [?]:
InChI=1/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,9,8,11,15,2,16,10,12,7,5,13,22,14,3,4,6/E:(3,4)(5,6)/rA:22nCCNNCNCCCCCCCNCCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s5s14;s13;s16;d17;s18;d19;d16s20;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.61253
Area:475.219
Solvation:-2.26795
Coulombic:-17.6437
Bond Count [?]
All:25
Single:16
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:308.765
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.89
LogP (Chemaxon):2.52

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Descriptor Annotations

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