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Chemical ID: 7438465
Chemical ID:
7438465
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)n2c3c4ccccc4[nH]c3cc(c2=O)N
InChi [?]:
InChI=1/C19H17N3O2/c1-2-24-13-9-7-12(8-10-13)22-18-14-5-3-4-6-16(14)21-17(18)11-15(20)19(22)23/h3-11,21H,2,20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,13,16,6,8,5,9,20,7,4,12,21,17,19,11,22,24,18,10,23,3/E:(7,8)(9,10)/rA:24nCCOCCCCCCNCCCCCCCNCCCCON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s17;d11s18;s19;d20;s10s21;d22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O2 |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.30178 |
Area: | 502.207 |
Solvation: | -3.25339 |
Coulombic: | -53.2467 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 319.357 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.72 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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