Chemical ID: 3998789

CC(c1ccc(cc1)Cl)N
Chemical ID:
3998789
Name [?]:
1-(4-chlorophenyl)ethanamine
SMILES [?]:
CC(c1ccc(cc1)Cl)N
InChi [?]:
InChI=1/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,5,7,2,3,6,9,10/E:(2,3)(4,5)/rA:10cCCCCCCCCClN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10ClN
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:7.03214
Area:317.086
Solvation:-0.895011
Coulombic:-14.2878
Bond Count [?]
All:10
Single:7
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:155.624
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.29
LogP (Chemaxon):2.09

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Experimental Annotations

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Descriptor Annotations

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