Chemical ID: 4580341

Cc1c(c(=O)oc2c1cc3c(c2C)OCN(C3)Cc4cccc(c4)Cl)C
Chemical ID:
4580341
Name [?]:
None
SMILES [?]:
Cc1c(c(=O)oc2c1cc3c(c2C)OCN(C3)Cc4cccc(c4)Cl)C
InChi [?]:
InChI=1/C21H20ClNO3/c1-12-13(2)21(24)26-20-14(3)19-16(8-18(12)20)10-23(11-25-19)9-15-5-4-6-17(22)7-15/h4-8H,9-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,13,21,20,22,24,9,18,17,15,2,3,12,19,10,23,8,11,7,4,25,16,5,14,6/rA:26cCCCCOOCCCCCCCOCNCCCCCCCCClC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s11;s14;s15;s10s16;s16;s18;s19;d20;s21;d22;d19s23;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClNO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.1444
Area:564.641
Solvation:-3.97167
Coulombic:-32.5472
Bond Count [?]
All:29
Single:21
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:369.841
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.42
LogP (Chemaxon):5.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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