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Chemical ID: 4665794
Chemical ID:
4665794
Name [?]:
None
SMILES [?]:
CN1C2c3ccccc3C(=O)C1C(=O)N2c4ccccc4
InChi [?]:
InChI=1/C17H14N2O2/c1-18-14-15(20)12-9-5-6-10-13(12)16(18)19(17(14)21)11-7-3-2-4-8-11/h2-10,14,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,7,6,17,21,8,5,16,9,4,12,10,3,13,2,15,11,14/E:(3,4)(7,8)/rA:21cCNCCCCCCCCOCCONCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s2s10;s12;d13;s3s13;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.04982 |
Area: | 430.696 |
Solvation: | -2.71758 |
Coulombic: | -32.4068 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 278.305 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.85 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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