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Chemical ID: 5513485
Chemical ID:
5513485
Name [?]:
2-(2-chloro-4-nitro-phenoxy)-N-phenethyl-acetamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)COc2ccc(cc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H15ClN2O4/c17-14-10-13(19(21)22)6-7-15(14)23-11-16(20)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,15,7,8,18,12,4,17,19,14,10,20,9,21,11,22,23,13/E:(2,3)(4,5)(21,22)/CRV:19.5/rA:23nCCCCCCCCNCOCOCCCCCCClN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.52945 |
Area: | 561.316 |
Solvation: | -10.5035 |
Coulombic: | -39.0632 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 334.754 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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