Chemical ID: 4931984

Cc1nnc2n1-c3ccccc3-c4c(c5ccccc5[nH]4)C2
Chemical ID:
4931984
Name [?]:
None
SMILES [?]:
Cc1nnc2n1-c3ccccc3-c4c(c5ccccc5[nH]4)C2
InChi [?]:
InChI=1/C18H14N4/c1-11-20-21-17-10-14-12-6-2-4-8-15(12)19-18(14)13-7-3-5-9-16(13)22(11)17/h2-9,19H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,10,18,9,16,11,19,8,22,2,15,12,14,20,7,5,13,21,3,4,6/rA:22nCCNNCNCCCCCCCCCCCCCCNC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s14;s15;d16;s17;d18;d15s19;s13s20;s5s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.0567
Area:446.001
Solvation:-2.09333
Coulombic:-21.7784
Bond Count [?]
All:26
Single:17
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:286.331
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.92
LogP (Chemaxon):2.3

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Experimental Annotations

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Descriptor Annotations

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