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Chemical ID: 5758594
Chemical ID:
5758594
Name [?]:
1-(4-chlorophenyl)-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(Cc1ccc(cc1)Cl)N
InChi [?]:
InChI=1/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,10,7,9,4,5,8,2,11,12/E:(1,2)(3,4)(5,6)/rA:12nCCCCCCCCCCClN/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14ClN |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.93131 |
Area: | 349.081 |
Solvation: | -0.795716 |
Coulombic: | -14.6373 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 183.678 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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