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Chemical ID: 4931984
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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