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Chemical ID: 5277373
Chemical ID:
5277373
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2c3c(c4c5c(c(ncn5)NN)sc4n2)CCCC3
InChi [?]:
InChI=1/C19H17N5S/c20-24-18-17-16(21-10-22-18)14-12-8-4-5-9-13(12)15(23-19(14)25-17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,20H2,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,24,3,5,22,25,15,4,9,8,10,7,11,12,13,20,18,16,14,21,17,19/E:(2,3)(6,7)/rA:25nCCCCCCCCCCCCCNCNNNSCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;s11;d12;s13;d14;d11s15;s13;s17;s12;d10s19;d7s20;s9;s22;s23;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N5S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6719 |
Area: | 518.143 |
Solvation: | -2.28163 |
Coulombic: | -36.3439 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 347.438 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 3.53 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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