Chemical ID: 4959900

CCCCNc1ccc(cc1)Cl
Chemical ID:
4959900
Name [?]:
N-butyl-4-chloro-aniline
SMILES [?]:
CCCCNc1ccc(cc1)Cl
InChi [?]:
InChI=1/C10H14ClN/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,12H,2-3,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,10,7,11,4,9,6,12,5/E:(4,5)(6,7)/rA:12nCCCCNCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14ClN
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:8.61248
Area:376.715
Solvation:-0.805392
Coulombic:-14.0319
Bond Count [?]
All:12
Single:9
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:183.678
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.64
LogP (Chemaxon):3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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