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Chemical ID: 4253573
Chemical ID:
4253573
Name [?]:
3-[(4-chlorophenyl)methyl]pyrrolidine
SMILES [?]:
c1cc(ccc1CC2CCNC2)Cl
InChi [?]:
InChI=1/C11H14ClN/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-4,10,13H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,9,10,7,12,6,8,3,13,11/E:(1,2)(3,4)/rA:13cCCCCCCCCCCNCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s8s11;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClN |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.22551 |
Area: | 369.318 |
Solvation: | -1.00744 |
Coulombic: | -10.9642 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 195.688 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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