Chemical ID: 3996758

CNCc1ccc(c(c1)Cl)Cl
Chemical ID:
3996758
Name [?]:
N-[(3,4-dichlorophenyl)methyl]methanamine
SMILES [?]:
CNCc1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C8H9Cl2N/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4,11H,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,9,3,4,7,8,11,10,2/rA:11nCNCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s7;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9Cl2N
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:7.75418
Area:351.128
Solvation:-1.02401
Coulombic:-10.862
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.069
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.78
LogP (Chemaxon):2.61

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Experimental Annotations

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Descriptor Annotations

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