Chemical ID: 5240741

c1cc(ccc1c2c3n(c(c2c4ccc(cc4)Cl)CO)CCC3)Cl
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

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Descriptor Annotations

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