Chemical ID: 4635032

Cc1ccc(c(c1)OP(=O)(C)Nc2cccnc2)Cl
Chemical ID:
4635032
Name [?]:
N-[(2-chloro-5-methyl-phenoxy)-methyl-phosphoryl]pyridin-3-amine
SMILES [?]:
Cc1ccc(c(c1)OP(=O)(C)Nc2cccnc2)Cl
InChi [?]:
InChI=1/C13H14ClN2O2P/c1-10-5-6-12(14)13(8-10)18-19(2,17)16-11-4-3-7-15-9-11/h3-9H,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,15,14,3,4,16,7,18,2,13,5,6,19,17,12,10,8,9/rA:19cCCCCCCCOPOCNCCCCNCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s9;s12;s13;d14;s15;d16;d13s17;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14ClN2O2P
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.88504
Area:456.99
Solvation:-3.53971
Coulombic:-31.247
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:296.689
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.16
LogP (Chemaxon):2.08

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