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Chemical ID: 5069345
Chemical ID:
5069345
Name [?]:
4-methyl-2-(4-phenylphenyl)-pyrrolidine
SMILES [?]:
CC1CC(NC1)c2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C17H19N/c1-13-11-17(18-12-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,17-18H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,9,11,8,12,3,6,2,13,10,7,4,5/E:(3,4)(5,6)(7,8)(9,10)/rA:18cCCCCNCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.67712 |
Area: | 438.353 |
Solvation: | -1.28172 |
Coulombic: | -12.4504 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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