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Chemical ID: 5603637
Chemical ID:
5603637
Name [?]:
2-amino-N-benzylideneamino-benzamide
SMILES [?]:
c1ccc(cc1)C=NNC(=O)c2ccccc2N
InChi [?]:
InChI=1/C14H13N3O/c15-13-9-5-4-8-12(13)14(18)17-16-10-11-6-2-1-3-7-11/h1-10H,15H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,7,4,12,17,10,18,8,9,11/E:(2,3)(6,7)/rA:18nCCCCCCCNNCOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.67726 |
Area: | 423.205 |
Solvation: | -2.90287 |
Coulombic: | -37.8719 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 239.273 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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