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Chemical ID: 4388942
Chemical ID:
4388942
Name [?]:
(4-chloro-3-nitro-phenyl)-(4-chlorophenyl)-methanone
SMILES [?]:
c1cc(ccc1C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)Cl
InChi [?]:
InChI=1/C13H7Cl2NO3/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(7-9)16(18)19/h1-7H
InChi Info:
AuxInfo=1/0/N:1,5,10,2,4,11,14,6,9,3,12,13,7,19,18,15,8,16,17/E:(1,2)(4,5)(18,19)/CRV:16.5/rA:19nCCCCCCCOCCCCCCN+OO-ClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;d15;s15;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7Cl2NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.75964 |
Area: | 463.04 |
Solvation: | -7.81636 |
Coulombic: | -20.5556 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.105 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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