Chemical ID: 4659825

COC(=O)c1ccc(cc1)COc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
4659825
Name [?]:
methyl 4-[(4-nitrophenoxy)methyl]benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)COc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13NO5/c1-20-15(17)12-4-2-11(3-5-12)10-21-14-8-6-13(7-9-14)16(18)19/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,9,6,10,15,17,14,18,11,8,5,16,13,3,19,4,20,21,2,12/E:(2,3)(4,5)(6,7)(8,9)(18,19)/CRV:16.5/rA:21nCOCOCCCCCCCOCCCCCCN+OO-/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13NO5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.60686
Area:499.49
Solvation:-8.88039
Coulombic:-39.389
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:287.267
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.35
LogP (Chemaxon):3.07

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Descriptor Annotations

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