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Chemical ID: 4842240
Chemical ID:
4842240
Name [?]:
None
SMILES [?]:
CCCn1c2ccc(cc2c3c1nc4ccccc4n3)Cl
InChi [?]:
InChI=1/C17H14ClN3/c1-2-9-21-15-8-7-11(18)10-12(15)16-17(21)20-14-6-4-3-5-13(14)19-16/h3-8,10H,2,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,15,7,6,3,9,8,10,19,14,5,11,12,21,20,13,4/rA:21nCCCNCCCCCCCCNCCCCCCNCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s8;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14ClN3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6408 |
Area: | 479.542 |
Solvation: | -1.34779 |
Coulombic: | -21.1321 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 295.766 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.48 |
LogP (Chemaxon): | 5.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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