Chemical ID: 5603637

c1ccc(cc1)C=NNC(=O)c2ccccc2N
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

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Descriptor Annotations

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