Chemical ID: 4537538

COc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)N
Chemical ID:
4537538
Name [?]:
[2-methoxy-4-(ureidoiminomethyl)phenyl] 4-chlorobenzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)N
InChi [?]:
InChI=1/C16H14ClN3O4/c1-23-14-8-10(9-19-20-16(18)22)2-7-13(14)24-15(21)11-3-5-12(17)6-4-11/h2-9H,1H3,(H3,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,6,13,17,14,16,7,4,19,5,12,15,8,3,10,22,18,24,20,21,11,23,2,9/E:(3,4)(5,6)/rA:24nCOCCCCCCOCOCCCCCCClCNNCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s5;w19;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClN3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.75852
Area:557.111
Solvation:-4.16926
Coulombic:-65.757
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:347.753
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.17
LogP (Chemaxon):2.74

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