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Chemical ID: 3968188
Chemical ID:
3968188
Name [?]:
2-dimethylamino-N-(6-oxo-5H-phenanthridin-2-yl)-acetamide
SMILES [?]:
CN(C)CC(=O)Nc1ccc2c(c1)c3ccccc3c(=O)[nH]2
InChi [?]:
InChI=1/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,15,18,9,10,13,4,8,14,19,12,11,5,20,7,22,2,6,21/E:(1,2)/rA:22nCNCCCONCCCCCCCCCCCCCON/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s16;d17;d14s18;s19;d20;s11s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56165 |
Area: | 487.87 |
Solvation: | -3.63509 |
Coulombic: | -46.6803 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 295.336 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.69 |
LogP (Chemaxon): | 2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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