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Chemical ID: 4942110
Chemical ID:
4942110
Name [?]:
None
SMILES [?]:
Cc1c2ccncc2c(c3c1[nH]c4c3cc(cc4)Cl)C
InChi [?]:
InChI=1/C17H13ClN2/c1-9-14-8-19-6-5-12(14)10(2)17-16(9)13-7-11(18)3-4-15(13)20-17/h3-8,20H,1-2H3
InChi Info:
AuxInfo=1/0/N:20,1,17,18,4,5,15,7,9,2,16,3,14,8,13,10,11,19,6,12/rA:20nCCCCCNCCCCCNCCCCCCClC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;s12;s10s13;d14;s15;d16;d13s17;s16;s9;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13ClN2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33975 |
Area: | 443.06 |
Solvation: | -1.73675 |
Coulombic: | -16.8011 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 280.751 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.83 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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