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Chemical ID: 6128540
Chemical ID:
6128540
Name [?]:
4-[bis(2-chloroethyl)amino]benzaldehyde
SMILES [?]:
c1cc(ccc1C=O)N(CCCl)CCCl
InChi [?]:
InChI=1/C11H13Cl2NO/c12-5-7-14(8-6-13)11-3-1-10(9-15)2-4-11/h1-4,9H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,14,10,13,7,6,3,12,15,9,8/E:(1,2)(3,4)(5,6)(7,8)(12,13)/rA:15nCCCCCCCONCCClCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s3;s9;s10;s11;s9;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13Cl2NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.41333 |
Area: | 446.215 |
Solvation: | -2.74204 |
Coulombic: | -15.3779 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 246.132 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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