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Chemical ID: 5551209
Chemical ID:
5551209
Name [?]:
3-chloro-2-pyrrolidin-1-yl-aniline
SMILES [?]:
c1cc(c(c(c1)Cl)N2CCCC2)N
InChi [?]:
InChI=1/C10H13ClN2/c11-8-4-3-5-9(12)10(8)13-6-1-2-7-13/h3-5H,1-2,6-7,12H2
InChi Info:
AuxInfo=1/0/N:10,11,1,6,2,9,12,5,3,4,7,13,8/E:(1,2)(6,7)/rA:13nCCCCCCClNCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s8s11;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13ClN2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.19754 |
Area: | 333.918 |
Solvation: | -1.15042 |
Coulombic: | -24.5559 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 196.676 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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