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Chemical ID: 6535781
Chemical ID:
6535781
Name [?]:
N-phenylphenazine-1-carboxamide
SMILES [?]:
c1ccc(cc1)NC(=O)c2cccc3c2nc4ccccc4n3
InChi [?]:
InChI=1/C19H13N3O/c23-19(20-13-7-2-1-3-8-13)14-9-6-12-17-18(14)22-16-11-5-4-10-15(16)21-17/h1-12H,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,19,12,3,5,11,21,18,13,4,10,22,17,14,15,8,7,23,16,9/E:(2,3)(7,8)/rA:23nCCCCCCNCOCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d16;s17;d18;s19;d20;s17s21;s14d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13N3O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.26532 |
Area: | 487.194 |
Solvation: | -2.91454 |
Coulombic: | -34.1835 |
Bond Count [?]
All: | 26 |
Single: | 15 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 299.326 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.86 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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