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Chemical ID: 5240740
Chemical ID:
5240740
Name [?]:
[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]methanol
SMILES [?]:
c1ccc(cc1)c2c3n(c(c2c4ccc(cc4)Cl)CO)CCC3
InChi [?]:
InChI=1/C20H18ClNO/c21-16-10-8-15(9-11-16)20-18(13-23)22-12-4-7-17(22)19(20)14-5-2-1-3-6-14/h1-3,5-6,8-11,23H,4,7,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,3,5,23,13,17,14,16,21,19,4,12,15,8,10,7,11,18,9,20/E:(2,3)(5,6)(8,9)(10,11)/rA:23nCCCCCCCCNCCCCCCCCClCOCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s11;s12;d13;s14;d15;d12s16;s15;s10;s19;s9;s21;s8s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18ClNO |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3413 |
Area: | 519.416 |
Solvation: | -2.64407 |
Coulombic: | -25.7513 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 323.816 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.87 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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