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Chemical ID: 5055730
Chemical ID:
5055730
Name [?]:
4-(2-chloroethyl-ethyl-amino)benzaldehyde
SMILES [?]:
CCN(CCCl)c1ccc(cc1)C=O
InChi [?]:
InChI=1/C11H14ClNO/c1-2-13(8-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,11,8,12,5,4,13,10,7,6,3,14/E:(3,4)(5,6)/rA:14cCCNCCClCCCCCCCO/rB:s1;s2;s3;s4;s5;s3;s7;d8;s9;d10;d7s11;s10;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.62159 |
Area: | 404.355 |
Solvation: | -2.48727 |
Coulombic: | -14.7814 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.688 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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