Chemical ID: 4122595

c1cc(c(cc1Cl)CN)Cl
Chemical ID:
4122595
Name [?]:
(2,5-dichlorophenyl)methanamine
SMILES [?]:
c1cc(c(cc1Cl)CN)Cl
InChi [?]:
InChI=1/C7H7Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChi Info:
AuxInfo=1/0/N:1,2,5,8,4,6,3,7,10,9/rA:10nCCCCCCClCNCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s3;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7Cl2N
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:7.16619
Area:325.39
Solvation:-0.968547
Coulombic:-14.0431
Bond Count [?]
All:10
Single:7
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:176.043
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.39
LogP (Chemaxon):2.2

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Experimental Annotations

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Descriptor Annotations

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