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Chemical ID: 5305145
Chemical ID:
5305145
Name [?]:
None
SMILES [?]:
CCn1c2ccc(cc2c3c1nc4ccccc4n3)Cl
InChi [?]:
InChI=1/C16H12ClN3/c1-2-20-14-8-7-10(17)9-11(14)15-16(20)19-13-6-4-3-5-12(13)18-15/h3-9H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,14,6,5,8,7,9,18,13,4,10,11,20,19,12,3/rA:20nCCNCCCCCCCCNCCCCCCNCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12ClN3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0541 |
Area: | 456.828 |
Solvation: | -1.36656 |
Coulombic: | -20.715 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 281.739 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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