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Chemical ID: 6178267
Chemical ID:
6178267
Name [?]:
1-phenyl-2-pyrrolidin-2-ylideneamino-ethanone
SMILES [?]:
c1ccc(cc1)C(=O)CN=C2CCCN2
InChi [?]:
InChI=1/C12H14N2O/c15-11(10-5-2-1-3-6-10)9-14-12-7-4-8-13-12/h1-3,5-6H,4,7-9H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,3,5,12,14,9,4,7,11,15,10,8/E:(2,3)(5,6)/rA:15nCCCCCCCOCNCCCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;w10;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.19984 |
Area: | 393.276 |
Solvation: | -3.63207 |
Coulombic: | -24.2496 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 202.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.14 |
LogP (Chemaxon): | 1.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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