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Chemical ID: 4928166
Chemical ID:
4928166
Name [?]:
None
SMILES [?]:
Cc1c2c(n(n1)c3ccccc3)-c4ccccc4NC(=O)C2
InChi [?]:
InChI=1/C18H15N3O/c1-12-15-11-17(22)19-16-10-6-5-9-14(16)18(15)21(20-12)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,15,16,8,12,14,17,22,2,7,13,3,18,20,4,19,6,5,21/E:(3,4)(7,8)/rA:22nCCCCNNCCCCCCCCCCCCNCOC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s4;s13;d14;s15;d16;d13s17;s18;s19;d20;s3s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15N3O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64031 |
Area: | 455.093 |
Solvation: | -2.73702 |
Coulombic: | -25.6719 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 289.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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