Chemical ID: 4582652

Cc1c(c(=O)oc2c1ccc3c2CN(CO3)CCc4ccc(cc4)Cl)C
Chemical ID:
4582652
Name [?]:
None
SMILES [?]:
Cc1c(c(=O)oc2c1ccc3c2CN(CO3)CCc4ccc(cc4)Cl)C
InChi [?]:
InChI=1/C21H20ClNO3/c1-13-14(2)21(24)26-20-17(13)7-8-19-18(20)11-23(12-25-19)10-9-15-3-5-16(22)6-4-15/h3-8H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,20,24,21,23,9,10,18,17,13,15,2,3,19,22,8,12,11,7,4,25,14,5,16,6/E:(3,4)(5,6)/rA:26cCCCCOOCCCCCCCNCOCCCCCCCCClC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s13;s14;s11s15;s14;s17;s18;s19;d20;s21;d22;d19s23;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClNO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.8312
Area:574.172
Solvation:-3.5231
Coulombic:-33.3977
Bond Count [?]
All:29
Single:21
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:369.841
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.36
LogP (Chemaxon):5.42

Name Annotations

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Descriptor Annotations

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