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Chemical ID: 4831432
Chemical ID:
4831432
Name [?]:
N-(o-tolyl)phenazine-1-carboxamide
SMILES [?]:
Cc1ccccc1NC(=O)c2cccc3c2nc4ccccc4n3
InChi [?]:
InChI=1/C20H15N3O/c1-13-7-2-3-9-15(13)23-20(24)14-8-6-12-18-19(14)22-17-11-5-4-10-16(17)21-18/h2-12H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,4,5,21,20,13,3,12,6,22,19,14,2,11,7,23,18,15,16,9,24,17,8,10/rA:24nCCCCCCCNCOCCCCCCNCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s18;d19;s20;d21;s18s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15N3O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.71218 |
Area: | 502.408 |
Solvation: | -2.84801 |
Coulombic: | -34.1437 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 313.353 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.09 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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