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Chemical ID: 4959900
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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