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Chemical ID: 5240741
Chemical ID:
5240741
Name [?]:
[1,2-bis(4-chlorophenyl)-6,7-dihydro-5H-pyrrolizin-3-yl]methanol
SMILES [?]:
c1cc(ccc1c2c3n(c(c2c4ccc(cc4)Cl)CO)CCC3)Cl
InChi [?]:
InChI=1/C20H17Cl2NO/c21-15-7-3-13(4-8-15)19-17-2-1-11-23(17)18(12-24)20(19)14-5-9-16(22)10-6-14/h3-10,24H,1-2,11-12H2
InChi Info:
AuxInfo=1/0/N:22,23,1,5,13,17,2,4,14,16,21,19,6,12,3,15,8,10,7,11,24,18,9,20/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCCNCCCCCCCCClCOCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s11;s12;d13;s14;d15;d12s16;s15;s10;s19;s9;s21;s8s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17Cl2NO |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2511 |
Area: | 555.591 |
Solvation: | -2.63871 |
Coulombic: | -25.855 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 358.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.5 |
LogP (Chemaxon): | 4.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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