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Chemical ID: 6444823
Chemical ID:
6444823
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)c3c([nH]2)-c4nc5ccccc5c(=O)n4CC3
InChi [?]:
InChI=1/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,4,5,24,23,8,3,9,19,7,14,6,10,12,20,11,13,22,21,2/rA:24nCOCCCCCCCCNCNCCCCCCCONCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;d12;s13;s14;d15;s16;d17;d14s18;s19;d20;s12s20;s22;s9s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.93791 |
Area: | 488.068 |
Solvation: | -3.26379 |
Coulombic: | -41.9433 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 317.341 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.64 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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