Chemical ID: 5457782

c1ccc2c(c1)-c3nc4ccccc4n3C(N2)c5ccc[nH]5
Chemical ID:
5457782
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3nc4ccccc4n3C(N2)c5ccc[nH]5
InChi [?]:
InChI=1/C18H14N4/c1-2-7-13-12(6-1)17-21-14-8-3-4-10-16(14)22(17)18(20-13)15-9-5-11-19-15/h1-11,18-20H
InChi Info:
AuxInfo=1/0/N:1,2,11,12,20,6,3,10,19,13,21,5,4,9,18,14,7,16,22,17,8,15/rA:22cCCCCCCCNCCCCCCNCNCCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s15;s4s16;s16;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.42366
Area:450.013
Solvation:-1.82667
Coulombic:-37.6586
Bond Count [?]
All:26
Single:17
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:286.331
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.77
LogP (Chemaxon):4.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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