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Chemical ID: 4246873
Chemical ID:
4246873
Name [?]:
(3-amino-4-pyrrolidin-1-yl-phenyl)-pyrrolidin-1-yl-methanone
SMILES [?]:
c1cc(c(cc1C(=O)N2CCCC2)N)N3CCCC3
InChi [?]:
InChI=1/C15H21N3O/c16-13-11-12(15(19)18-9-3-4-10-18)5-6-14(13)17-7-1-2-8-17/h5-6,11H,1-4,7-10,16H2
InChi Info:
AuxInfo=1/0/N:17,18,11,12,1,2,16,19,10,13,5,6,4,3,7,14,15,9,8/E:(1,2)(3,4)(7,8)(9,10)/rA:19nCCCCCCCONCCCCNNCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s9s12;s4;s3;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21N3O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67537 |
Area: | 445.821 |
Solvation: | -2.47016 |
Coulombic: | -39.766 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 259.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.97 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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