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Chemical ID: 5169487

Chemical ID:

5169487

Name [?]:

N-(3,4-dichlorophenyl)-3-(2-methylaziridin-1-yl)-propanamide

SMILES [?]:

CC1CN1CCC(=O)Nc2ccc(c(c2)Cl)Cl

InChi [?]:

InChI=1/C12H14Cl2N2O/c1-8-7-16(8)5-4-12(17)15-9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,15,17)

InChi Info:

AuxInfo=1/1/N:1,11,12,6,5,15,3,2,10,13,14,7,17,16,9,4,8/rA:17cCCCNCCCONCCCCCCClCl/rB:s1;s2;s2s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₄Cl₂N₂O
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	2

ZAP Information [?]

Total:	9.4395
Area:	463.505
Solvation:	-2.14813
Coulombic:	-25.5721

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	273.158
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.45
LogP (Chemaxon):	2.69

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value