Chemical ID: 6644324

CC(C(=O)NN=Cc1ccc(cc1)O)Oc2ccc(cc2)[N+](=O)[O-]
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

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Descriptor Annotations

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