Chemical ID: 6128540

c1cc(ccc1C=O)N(CCCl)CCCl
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

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Descriptor Annotations

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