Chemical ID: 7434316

c1ccc2c(c1)c3c(n2CCN)nc4ccccc4n3
Chemical ID:
7434316
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(n2CCN)nc4ccccc4n3
InChi [?]:
InChI=1/C16H14N4/c17-9-10-20-14-8-4-1-5-11(14)15-16(20)19-13-7-3-2-6-12(13)18-15/h1-8H,9-10,17H2
InChi Info:
AuxInfo=1/0/N:1,17,16,2,6,18,15,3,11,10,5,19,14,4,7,8,12,20,13,9/rA:20nCCCCCCCCNCCNNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;s11;d8;s13;s14;d15;s16;d17;d14s18;d7s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N4
All Atoms:34
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.44439
Area:446.059
Solvation:-1.70709
Coulombic:-32.883
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:262.309
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.3
LogP (Chemaxon):3.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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