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Chemical ID: 6398312
Chemical ID:
6398312
Name [?]:
5-chloro-N-isopropyl-2-nitro-benzamide
SMILES [?]:
CC(C)NC(=O)c1cc(ccc1[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C10H11ClN2O3/c1-6(2)12-10(14)8-5-7(11)3-4-9(8)13(15)16/h3-6H,1-2H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,3,10,11,8,2,9,7,12,5,16,4,13,6,14,15/E:(1,2)(15,16)/CRV:13.5/rA:16nCCCNCOCCCCCCN+OO-Cl/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;d13;s13;s9;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11ClN2O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.73247 |
Area: | 413.576 |
Solvation: | -8.60693 |
Coulombic: | -29.8821 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 242.659 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.7 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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