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Chemical ID: 6644324
Chemical ID:
6644324
Name [?]:
N-[(4-hydroxyphenyl)methyleneamino]-2-(4-nitrophenoxy)-propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)O)Oc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H15N3O5/c1-11(24-15-8-4-13(5-9-15)19(22)23)16(21)18-17-10-12-2-6-14(20)7-3-12/h2-11,20H,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,9,13,18,20,10,12,17,21,7,2,8,19,11,16,3,6,5,22,14,4,23,24,15/E:(2,3)(4,5)(6,7)(8,9)(22,23)/CRV:19.5/rA:24cCCCONNCCCCCCCOOCCCCCCN+OO-/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s2;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N3O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 2.29317 |
Area: | 550.789 |
Solvation: | -11.4766 |
Coulombic: | -52.7858 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 329.308 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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