Chemical ID: 4581668

Cc1c(c(=O)oc2c1ccc3c2CN(CO3)Cc4ccc(cc4)Cl)C
Chemical ID:
4581668
Name [?]:
None
SMILES [?]:
Cc1c(c(=O)oc2c1ccc3c2CN(CO3)Cc4ccc(cc4)Cl)C
InChi [?]:
InChI=1/C20H18ClNO3/c1-12-13(2)20(23)25-19-16(12)7-8-18-17(19)10-22(11-24-18)9-14-3-5-15(21)6-4-14/h3-8H,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,19,23,20,22,9,10,17,13,15,2,3,18,21,8,12,11,7,4,24,14,5,16,6/E:(3,4)(5,6)/rA:25cCCCCOOCCCCCCCNCOCCCCCCCClC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClNO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.98702
Area:545.258
Solvation:-3.64443
Coulombic:-33.0671
Bond Count [?]
All:28
Single:20
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:355.815
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.2
LogP (Chemaxon):5.17

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Descriptor Annotations

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