Chemical ID: 6669745

Cc1cc(cc(c1Cl)C)OC(=O)Nc2ccc(cc2OC)[N+](=O)[O-]
Chemical ID:
6669745
Name [?]:
(4-chloro-3,5-dimethyl-phenyl) (2-methoxy-4-nitro-phenyl)aminoformate
SMILES [?]:
Cc1cc(cc(c1Cl)C)OC(=O)Nc2ccc(cc2OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H15ClN2O5/c1-9-6-12(7-10(2)15(9)17)24-16(20)18-13-5-4-11(19(21)22)8-14(13)23-3/h4-8H,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,9,21,16,15,3,5,18,2,6,17,4,14,19,7,11,8,13,22,12,23,24,20,10/E:(1,2)(6,7)(9,10)(21,22)/CRV:19.5/rA:24nCCCCCCCClCOCONCCCCCCOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClN2O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.21483
Area:551.515
Solvation:-7.57304
Coulombic:-52.3273
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.753
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.77
LogP (Chemaxon):4.83

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue