Chemical ID: 4377582

c1ccc2c(c1)C3CC(=NN3C(O2)c4ccccc4Cl)c5ccco5
Chemical ID:
4377582
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3CC(=NN3C(O2)c4ccccc4Cl)c5ccco5
InChi [?]:
InChI=1/C20H15ClN2O2/c21-15-8-3-1-6-13(15)20-23-17(14-7-2-4-9-18(14)25-20)12-16(22-23)19-10-5-11-24-19/h1-11,17,20H,12H2
InChi Info:
AuxInfo=1/0/N:16,1,17,2,23,15,6,18,3,22,24,8,14,5,19,9,7,4,21,12,20,10,11,25,13/rA:25cCCCCCCCCCNNCOCCCCCCClCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s7s10;s11;s4s12;s12;s14;d15;s16;d17;d14s18;s19;s9;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15ClN2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:10.1697
Area:529.1
Solvation:-3.05781
Coulombic:-24.4786
Bond Count [?]
All:29
Single:20
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:350.798
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.73
LogP (Chemaxon):4.53

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Descriptor Annotations

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