Chemical ID: 5589474

COc1cc(ccc1O)C=NNC(=O)CNC(=O)c2ccccc2Cl
Chemical ID:
5589474
Name [?]:
2-chloro-N-[(4-hydroxy-3-methoxy-phenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
COc1cc(ccc1O)C=NNC(=O)CNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C17H16ClN3O4/c1-25-15-8-11(6-7-14(15)22)9-20-21-16(23)10-19-17(24)12-4-2-3-5-13(12)18/h2-9,22H,10H2,1H3,(H,19,24)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,23,6,7,4,10,15,5,19,24,8,3,13,17,25,16,11,12,9,14,18,2/rA:25nCOCCCCCCOCNNCOCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClN3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.75262
Area:580.372
Solvation:-6.75667
Coulombic:-63.2397
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:361.779
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.3
LogP (Chemaxon):2.15

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