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Chemical ID: 6170988
Chemical ID:
6170988
Name [?]:
N-(2-chloro-5-nitro-phenyl)-4-isopropoxy-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)Nc2cc(ccc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H15ClN2O4/c1-10(2)23-13-6-3-11(4-7-13)16(20)18-15-9-12(19(21)22)5-8-14(15)17/h3-10H,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,7,9,17,6,10,18,15,2,8,16,5,19,14,11,20,13,21,12,22,23,4/E:(1,2)(3,4)(6,7)(21,22)/CRV:19.5/rA:23nCCCOCCCCCCCONCCCCCCClN+OO-/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.55793 |
Area: | 538.81 |
Solvation: | -7.91232 |
Coulombic: | -41.1842 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.754 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.18 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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