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Chemical ID: 5392949
Chemical ID:
5392949
Name [?]:
N-(2,4-dimethylphenyl)phenazine-1-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)c2cccc3c2nc4ccccc4n3
InChi [?]:
InChI=1/C21H17N3O/c1-13-10-11-16(14(2)12-13)24-21(25)15-6-5-9-19-20(15)23-18-8-4-3-7-17(18)22-19/h3-12H,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,22,21,14,13,23,20,15,3,4,7,2,6,12,5,24,19,16,17,10,25,18,9,11/rA:25nCCCCCCCCNCOCCCCCCNCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s19;d20;s21;d22;s19s23;s16d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17N3O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2714 |
Area: | 526.283 |
Solvation: | -2.88567 |
Coulombic: | -33.8917 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 327.379 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.52 |
LogP (Chemaxon): | 4.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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