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Chemical ID: 5278744
Chemical ID:
5278744
Name [?]:
None
SMILES [?]:
Cc1nc2ccc(cc2c3n1c4ccccc4c3NC(=O)C)Cl
InChi [?]:
InChI=1/C18H14ClN3O/c1-10-20-15-8-7-12(19)9-14(15)18-17(21-11(2)23)13-5-3-4-6-16(13)22(10)18/h3-9H,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,22,15,14,16,13,6,5,8,2,20,7,17,9,4,12,18,10,23,3,19,11,21/rA:23nCCNCCCCCCCNCCCCCCCNCOCCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;s2s10;s11;s12;d13;s14;d15;d12s16;d10s17;s18;s19;d20;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClN3O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.50333 |
Area: | 489.942 |
Solvation: | -2.74522 |
Coulombic: | -31.1748 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 323.776 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.14 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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