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Chemical ID: 4620185
Chemical ID:
4620185
Name [?]:
None
SMILES [?]:
CC1(Cc2ccccc2-c3n1c4c(c3)nc5ccccc5n4)C
InChi [?]:
InChI=1/C20H17N3/c1-20(2)12-13-7-3-4-8-14(13)18-11-17-19(23(18)20)22-16-10-6-5-9-15(16)21-17/h3-11H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,6,7,18,19,5,8,17,20,14,3,4,9,16,21,13,10,12,2,15,22,11/E:(1,2)/rA:23nCCCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s2s10;s11;s12;d10s13;d13;s15;s16;d17;s18;d19;d16s20;d12s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17N3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1583 |
Area: | 468.363 |
Solvation: | -1.55078 |
Coulombic: | -20.8275 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 299.369 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.4 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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